 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer06_STD_LCPBE_augccpVDZ.in
 Output=30_ibuprofen_conformer06_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/Gau-22876.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/30_ibuprofen/done/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     22877.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=48GB
 %chk=30_ibuprofen_conformer06_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=023000000
 0,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=230000000,108=230000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 18:45:05 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "30_ibuprofen_conformer06_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.736226000000     -0.365262000000     -1.272205000000
  C                                                 1.580407000000     -0.843892000000     -0.268944000000
  C                                                -0.631287000000     -0.249652000000     -1.070495000000
  C                                                -1.202033000000     -0.613612000000      0.148225000000
  C                                                -0.367697000000     -1.095463000000      1.151784000000
  C                                                 1.000381000000     -1.213316000000      0.943659000000
  C                                                 3.068617000000     -0.934244000000     -0.480851000000
  C                                                 3.864505000000      0.334941000000     -0.092392000000
  C                                                 3.754611000000      0.654693000000      1.397822000000
  C                                                 3.475770000000      1.545740000000     -0.939652000000
  C                                                -2.702771000000     -0.516689000000      0.368988000000
  C                                                -3.138269000000      0.918833000000      0.145133000000
  O                                                -3.559047000000      1.373836000000     -0.886855000000
  O                                                -2.970828000000      1.672405000000      1.255783000000
  H                                                 1.156867000000     -0.080316000000     -2.228675000000
  H                                                -1.260188000000      0.132647000000     -1.864576000000
  H                                                -0.792008000000     -1.385962000000      2.105337000000
  H                                                 1.627267000000     -1.599939000000      1.737720000000
  H                                                 3.268482000000     -1.153685000000     -1.532795000000
  H                                                 3.462957000000     -1.774242000000      0.096737000000
  H                                                 4.913285000000      0.101574000000     -0.306459000000
  H                                                 4.394928000000      1.499871000000      1.657871000000
  H                                                 4.056957000000     -0.196129000000      2.012581000000
  H                                                 2.730553000000      0.917518000000      1.669696000000
  H                                                 2.441497000000      1.841134000000     -0.753494000000
  H                                                 3.577595000000      1.336297000000     -2.006833000000
  H                                                 4.113060000000      2.400281000000     -0.703913000000
  H                                                -2.898442000000     -0.751368000000      1.416045000000
  C                                                -3.487164000000     -1.472476000000     -0.531817000000
  H                                                -3.218631000000      2.580750000000      1.021627000000
  H                                                -4.556603000000     -1.415011000000     -0.324547000000
  H                                                -3.151396000000     -2.495431000000     -0.362197000000
  H                                                -3.334967000000     -1.225513000000     -1.581072000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 18:45:06 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.395801   0.000000
     3  C    1.387135   2.426354   0.000000
     4  C    2.415812   2.822947   1.394093   0.000000
     5  C    2.761804   2.424225   2.392363   1.391196   0.000000
     6  C    2.387263   1.394027   2.765467   2.417227   1.388828
     7  C    2.527851   1.505934   3.808627   4.328625   3.807853
     8  C    3.415900   2.576416   4.637950   5.160180   4.637409
     9  C    4.156922   3.122664   5.113368   5.266727   4.485198
    10  C    3.356728   3.122914   4.484247   5.265750   5.110998
    11  C    3.813548   4.342768   2.536625   1.519982   2.529885
    12  C    4.320817   5.054163   3.021269   2.469293   3.570267
    13  O    4.649981   5.631529   3.352792   3.252208   4.520863
    14  O    4.927987   5.419436   3.818288   3.095350   3.801079
    15  H    1.083036   2.145456   2.137183   3.390939   3.844779
    16  H    2.141141   3.401272   1.082697   2.147476   3.376866
    17  H    3.845142   3.399912   3.376824   2.143579   1.083371
    18  H    3.373134   2.144878   3.848430   3.391795   2.139556
    19  H    2.664927   2.131405   4.029788   4.806559   4.520194
    20  H    3.360698   2.131494   4.522128   4.807478   4.030853
    21  H    4.312589   3.464591   5.607976   6.173762   5.607864
    22  H    5.044816   4.138523   5.980606   6.170236   5.447429
    23  H    4.673936   3.429031   5.611404   5.595274   4.596448
    24  H    3.778577   2.860721   4.491425   4.486030   3.730882
    25  H    2.836405   2.861054   3.730131   4.484884   4.488347
    26  H    3.392397   3.429613   4.594198   5.593859   5.608533
    27  H    4.401612   4.138621   5.446591   6.169271   5.978379
    28  H    4.537243   4.786213   3.402145   2.122298   2.567665
    29  C    4.428444   5.113169   3.153015   2.534152   3.564790
    30  H    5.438892   6.035272   4.368352   3.877299   4.653956
    31  H    5.478510   6.163778   4.162043   3.481220   4.452931
    32  H    4.525410   5.012608   3.449081   2.757134   3.464250
    33  H    4.172534   5.101786   2.919397   2.813236   4.036100
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.526798   0.000000
     8  C    3.416681   1.547633   0.000000
     9  C    3.358795   2.554353   1.528089   0.000000
    10  C    4.157740   2.554720   1.528070   2.517042   0.000000
    11  C    3.811676   5.848547   6.638317   6.642922   6.643833
    12  C    4.723571   6.507779   7.031088   7.010763   6.731663
    13  O    5.552704   7.029794   7.537878   7.695876   7.037115
    14  O    4.918873   6.803338   7.094234   6.803488   6.811359
    15  H    3.372222   2.727429   3.473823   4.521061   3.111744
    16  H    3.848113   4.668137   5.426236   6.005329   5.028083
    17  H    2.142886   4.668709   5.429055   5.033547   6.006727
    18  H    1.083050   2.728131   3.478262   3.118411   4.525548
    19  H    3.358670   1.093017   2.155461   3.477796   2.771585
    20  H    2.663869   1.093027   2.155380   2.770850   3.478009
    21  H    4.313067   2.122765   1.095548   2.133785   2.133776
    22  H    4.403911   3.501164   2.168371   1.091768   2.755736
    23  H    3.394101   2.781876   2.179446   1.092355   3.476718
    24  H    2.839204   2.858000   2.174902   1.091644   2.785446
    25  H    3.779789   2.858380   2.175000   2.785690   1.091619
    26  H    4.674180   2.782631   2.179476   3.476722   1.092296
    27  H    5.045924   3.501382   2.168264   2.755513   1.091765
    28  H    3.954411   6.263980   7.013765   6.800033   7.173325
    29  C    4.730989   6.578036   7.583330   7.790485   7.599895
    30  H    5.674599   7.358132   7.513688   7.244123   7.052153
    31  H    5.703429   7.641960   8.604144   8.736504   8.582739
    32  H    4.537216   6.414043   7.570117   7.791911   7.783563
    33  H    5.016937   6.503938   7.515556   7.916508   7.380881
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516738   0.000000
    13  O    2.425785   1.203778   0.000000
    14  O    2.377055   1.352572   2.241884   0.000000
    15  H    4.672802   5.008139   5.114185   5.679027   0.000000
    16  H    2.737059   2.860805   2.789488   3.877342   2.453584
    17  H    2.724254   3.828762   4.922012   3.850014   4.928132
    18  H    4.668628   5.620576   6.529134   5.664184   4.273502
    19  H    6.299080   6.939541   7.308950   7.395400   2.468864
    20  H    6.298552   7.129599   7.757989   7.390288   3.687137
    21  H    7.670905   8.105515   8.586962   8.189466   4.223586
    22  H    7.490331   7.705520   8.352080   7.378740   5.299742
    23  H    6.964056   7.516767   8.299099   7.311219   5.139279
    24  H    5.767998   6.063610   6.804649   5.766015   4.320817
    25  H    5.769124   5.726426   6.020189   5.775719   2.741971
    26  H    6.965707   7.064564   7.224086   7.323898   2.813526
    27  H    7.491020   7.449654   7.742628   7.385911   4.149378
    28  H    1.090729   2.112417   3.202536   2.430144   5.493617
    29  C    1.529788   2.509651   2.869270   3.654093   5.136581
    30  H    3.207207   1.880603   2.283600   0.970220   6.065535
    31  H    2.173630   2.771119   3.014793   3.813694   6.168537
    32  H    2.156691   3.451776   3.925898   4.474519   5.279929
    33  H    2.169064   2.759836   2.699771   4.071642   4.680538
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276164   0.000000
    18  H    4.931104   2.456384   0.000000
    19  H    4.719489   5.456880   3.686326   0.000000
    20  H    5.458120   4.721225   2.468393   1.754505   0.000000
    21  H    6.367139   6.370235   4.227497   2.405193   2.405141
    22  H    6.801270   5.952526   4.156338   4.300069   3.745067
    23  H    6.588814   4.993673   2.819508   3.756101   2.552202
    24  H    5.388239   4.231340   2.749447   3.851649   3.202528
    25  H    4.225625   5.389120   4.325517   3.203148   3.851911
    26  H    4.987299   6.588935   5.142659   2.553483   3.756807
    27  H    5.946520   6.803471   5.304950   3.745802   4.300037
    28  H    3.771980   2.305406   4.615798   6.847515   6.576796
    29  C    3.051571   3.771728   5.596825   6.836837   6.985007
    30  H    4.261323   4.774697   6.440006   7.909090   8.029010
    31  H    3.953895   4.480776   6.521303   7.922128   8.038649
    32  H    3.569398   3.589757   5.295959   6.662238   6.669363
    33  H    2.495933   4.481294   5.981500   6.604016   7.023384
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.466277   0.000000
    23  H    2.489954   1.765350   0.000000
    24  H    3.055368   1.763354   1.765539   0.000000
    25  H    3.055429   3.122024   3.796225   2.609304   0.000000
    26  H    2.489956   3.758303   4.328257   3.796014   1.765344
    27  H    2.466249   2.543268   3.758169   3.121527   1.763300
    28  H    8.044726   7.636740   7.002979   5.876658   6.320041
    29  C    8.549618   8.703847   8.063299   7.015607   6.795452
    30  H    8.604544   7.716177   7.850301   6.211210   5.977887
    31  H    9.590575   9.620625   9.007844   7.906980   7.730451
    32  H    8.472699   8.774401   7.930114   7.097474   7.087973
    33  H    8.451003   8.813044   8.283388   7.207677   6.592173
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765329   0.000000
    28  H    7.616659   7.974226   0.000000
    29  C    7.744398   8.531780   2.158879   0.000000
    30  H    7.543800   7.534172   3.370623   4.349016   0.000000
    31  H    8.750141   9.479632   2.493909   1.090854   4.423625
    32  H    7.916204   8.766817   2.503575   1.089930   5.261854
    33  H    7.384284   8.330000   3.065628   1.088619   4.612506
                   31         32         33
    31  H    0.000000
    32  H    1.772944   0.000000
    33  H    1.762714   1.769759   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.07D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.736226   -0.365262   -1.272205
      2          6           0        1.580407   -0.843892   -0.268944
      3          6           0       -0.631287   -0.249652   -1.070495
      4          6           0       -1.202033   -0.613612    0.148225
      5          6           0       -0.367697   -1.095463    1.151784
      6          6           0        1.000381   -1.213316    0.943659
      7          6           0        3.068617   -0.934244   -0.480851
      8          6           0        3.864505    0.334941   -0.092392
      9          6           0        3.754611    0.654693    1.397822
     10          6           0        3.475770    1.545740   -0.939652
     11          6           0       -2.702771   -0.516689    0.368988
     12          6           0       -3.138269    0.918833    0.145133
     13          8           0       -3.559047    1.373836   -0.886855
     14          8           0       -2.970828    1.672405    1.255783
     15          1           0        1.156867   -0.080316   -2.228675
     16          1           0       -1.260188    0.132647   -1.864576
     17          1           0       -0.792008   -1.385962    2.105337
     18          1           0        1.627267   -1.599939    1.737720
     19          1           0        3.268482   -1.153685   -1.532795
     20          1           0        3.462957   -1.774242    0.096737
     21          1           0        4.913285    0.101574   -0.306459
     22          1           0        4.394928    1.499871    1.657871
     23          1           0        4.056957   -0.196129    2.012581
     24          1           0        2.730553    0.917518    1.669696
     25          1           0        2.441497    1.841134   -0.753494
     26          1           0        3.577595    1.336297   -2.006833
     27          1           0        4.113060    2.400281   -0.703913
     28          1           0       -2.898442   -0.751368    1.416045
     29          6           0       -3.487164   -1.472476   -0.531817
     30          1           0       -3.218631    2.580750    1.021627
     31          1           0       -4.556603   -1.415011   -0.324547
     32          1           0       -3.151396   -2.495431   -0.362197
     33          1           0       -3.334967   -1.225513   -1.581072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1831818           0.2892133           0.2785107
 Leave Link  202 at Mon Sep 27 18:45:06 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  45 primitive shells out of 564 were deleted.
 There are   537 symmetry adapted cartesian basis functions of A   symmetry.
 There are   507 symmetry adapted basis functions of A   symmetry.
   507 basis functions,   921 primitive gaussians,   537 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       984.3576103471 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.230000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 18:45:08 2021, MaxMem=  6442450944 cpu:              13.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   507 RedAO= T EigKep=  1.13D-06  NBF=   507
 NBsUse=   506 1.00D-06 EigRej=  9.64D-07 NBFU=   506
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   537   537   537   537   537 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Mon Sep 27 18:45:10 2021, MaxMem=  6442450944 cpu:               8.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 18:45:10 2021, MaxMem=  6442450944 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer06_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 18:45:12 2021, MaxMem=  6442450944 cpu:               8.1 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441864761 LenY=  6441575855
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -654.810596013185    
 DIIS: error= 4.06D-05 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -654.810596013185     IErMin= 1 ErrMin= 4.06D-05
 ErrMax= 4.06D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-06 BMatP= 3.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.68D-04 MaxDP=2.72D-02              OVMax= 3.87D-04

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.29D-04    CP:  9.97D-01
 E= -654.810601329418     Delta-E=       -0.000005316232 Rises=F Damp=F
 DIIS: error= 1.20D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -654.810601329418     IErMin= 2 ErrMin= 1.20D-05
 ErrMax= 1.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-07 BMatP= 3.07D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.882D-01 0.109D+01
 Coeff:     -0.882D-01 0.109D+01
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.01D-05 MaxDP=2.09D-03 DE=-5.32D-06 OVMax= 1.25D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.07D-05    CP:  9.97D-01  1.09D+00
 E= -654.810601528011     Delta-E=       -0.000000198593 Rises=F Damp=F
 DIIS: error= 8.25D-06 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -654.810601528011     IErMin= 3 ErrMin= 8.25D-06
 ErrMax= 8.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-07 BMatP= 1.58D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.736D-01 0.551D+00 0.523D+00
 Coeff:     -0.736D-01 0.551D+00 0.523D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=3.39D-06 MaxDP=2.21D-04 DE=-1.99D-07 OVMax= 6.27D-05

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.96D-06    CP:  9.97D-01  1.10D+00  9.22D-01
 E= -654.810601626579     Delta-E=       -0.000000098568 Rises=F Damp=F
 DIIS: error= 2.49D-06 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -654.810601626579     IErMin= 4 ErrMin= 2.49D-06
 ErrMax= 2.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-08 BMatP= 1.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.256D-01 0.113D+00 0.238D+00 0.674D+00
 Coeff:     -0.256D-01 0.113D+00 0.238D+00 0.674D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.15D-06 MaxDP=7.37D-05 DE=-9.86D-08 OVMax= 3.47D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.76D-07    CP:  9.97D-01  1.10D+00  9.50D-01  1.09D+00
 E= -654.810601634176     Delta-E=       -0.000000007597 Rises=F Damp=F
 DIIS: error= 1.33D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -654.810601634176     IErMin= 5 ErrMin= 1.33D-06
 ErrMax= 1.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.19D-09 BMatP= 1.05D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.189D-02-0.318D-01 0.437D-01 0.370D+00 0.620D+00
 Coeff:     -0.189D-02-0.318D-01 0.437D-01 0.370D+00 0.620D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=6.58D-07 MaxDP=5.28D-05 DE=-7.60D-09 OVMax= 1.54D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.29D-07    CP:  9.97D-01  1.09D+00  9.73D-01  1.11D+00  1.12D+00
 E= -654.810601636188     Delta-E=       -0.000000002012 Rises=F Damp=F
 DIIS: error= 3.86D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -654.810601636188     IErMin= 6 ErrMin= 3.86D-07
 ErrMax= 3.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-10 BMatP= 2.19D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.172D-02-0.240D-01-0.305D-02 0.103D+00 0.267D+00 0.656D+00
 Coeff:      0.172D-02-0.240D-01-0.305D-02 0.103D+00 0.267D+00 0.656D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=9.94D-06 DE=-2.01D-09 OVMax= 4.23D-06

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.29D-07    CP:  9.97D-01  1.09D+00  9.78D-01  1.12D+00  1.14D+00
                    CP:  1.13D+00
 E= -654.810601636408     Delta-E=       -0.000000000221 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -654.810601636408     IErMin= 7 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-11 BMatP= 1.50D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.946D-03-0.411D-02-0.915D-02-0.204D-01-0.549D-02 0.282D+00
 Coeff-Com:  0.757D+00
 Coeff:      0.946D-03-0.411D-02-0.915D-02-0.204D-01-0.549D-02 0.282D+00
 Coeff:      0.757D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=9.27D-08 MaxDP=4.69D-06 DE=-2.21D-10 OVMax= 1.96D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.77D-08    CP:  9.97D-01  1.09D+00  9.78D-01  1.13D+00  1.15D+00
                    CP:  1.13D+00  1.30D+00
 E= -654.810601636449     Delta-E=       -0.000000000041 Rises=F Damp=F
 DIIS: error= 2.16D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -654.810601636449     IErMin= 8 ErrMin= 2.16D-08
 ErrMax= 2.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-12 BMatP= 2.37D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.601D-04 0.154D-02-0.231D-02-0.154D-01-0.325D-01 0.900D-02
 Coeff-Com:  0.188D+00 0.851D+00
 Coeff:      0.601D-04 0.154D-02-0.231D-02-0.154D-01-0.325D-01 0.900D-02
 Coeff:      0.188D+00 0.851D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=2.92D-08 MaxDP=2.44D-06 DE=-4.12D-11 OVMax= 7.20D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.13D-08    CP:  9.97D-01  1.09D+00  9.77D-01  1.13D+00  1.15D+00
                    CP:  1.16D+00  1.35D+00  1.04D+00
 E= -654.810601636359     Delta-E=        0.000000000090 Rises=F Damp=F
 DIIS: error= 1.07D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -654.810601636449     IErMin= 9 ErrMin= 1.07D-08
 ErrMax= 1.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.92D-13 BMatP= 1.23D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.506D-04 0.105D-02-0.303D-03-0.506D-02-0.144D-01-0.198D-01
 Coeff-Com:  0.158D-01 0.395D+00 0.627D+00
 Coeff:     -0.506D-04 0.105D-02-0.303D-03-0.506D-02-0.144D-01-0.198D-01
 Coeff:      0.158D-01 0.395D+00 0.627D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.16D-08 MaxDP=9.41D-07 DE= 9.00D-11 OVMax= 2.09D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.59D-09    CP:  9.97D-01  1.09D+00  9.78D-01  1.13D+00  1.15D+00
                    CP:  1.16D+00  1.36D+00  1.10D+00  9.67D-01
 E= -654.810601636260     Delta-E=        0.000000000099 Rises=F Damp=F
 DIIS: error= 3.67D-09 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 8 EnMin= -654.810601636449     IErMin=10 ErrMin= 3.67D-09
 ErrMax= 3.67D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.26D-14 BMatP= 2.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.263D-04 0.117D-03 0.206D-03 0.642D-03 0.413D-04-0.767D-02
 Coeff-Com: -0.241D-01 0.316D-02 0.198D+00 0.830D+00
 Coeff:     -0.263D-04 0.117D-03 0.206D-03 0.642D-03 0.413D-04-0.767D-02
 Coeff:     -0.241D-01 0.316D-02 0.198D+00 0.830D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=4.17D-09 MaxDP=1.63D-07 DE= 9.94D-11 OVMax= 1.04D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -654.810601636     A.U. after   10 cycles
            NFock= 10  Conv=0.42D-08     -V/T= 2.0047
 KE= 6.517166214592D+02 PE=-3.494627940467D+03 EE= 1.203743107024D+03
 Leave Link  502 at Mon Sep 27 18:57:55 2021, MaxMem=  6442450944 cpu:            6094.7 elap:             763.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   506
 NBasis=   507 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    506 NOA=    56 NOB=    56 NVA=   450 NVB=   450

 **** Warning!!: The largest alpha MO coefficient is  0.10687556D+03

 Leave Link  801 at Mon Sep 27 18:57:56 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10234 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.20D-13 8.33D-09 XBig12= 1.00D+00 3.07D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.20D-13 8.33D-09 XBig12= 2.47D-01 6.67D-02.
     11 vectors produced by pass  2 Test12= 4.20D-13 8.33D-09 XBig12= 5.96D-02 6.47D-02.
     11 vectors produced by pass  3 Test12= 4.20D-13 8.33D-09 XBig12= 9.00D-03 2.00D-02.
     11 vectors produced by pass  4 Test12= 4.20D-13 8.33D-09 XBig12= 1.27D-03 5.72D-03.
     11 vectors produced by pass  5 Test12= 4.20D-13 8.33D-09 XBig12= 1.59D-04 1.25D-03.
     11 vectors produced by pass  6 Test12= 4.20D-13 8.33D-09 XBig12= 1.45D-05 5.10D-04.
     11 vectors produced by pass  7 Test12= 4.20D-13 8.33D-09 XBig12= 8.39D-07 1.26D-04.
     11 vectors produced by pass  8 Test12= 4.20D-13 8.33D-09 XBig12= 3.70D-08 2.70D-05.
     11 vectors produced by pass  9 Test12= 4.20D-13 8.33D-09 XBig12= 1.55D-09 5.05D-06.
     11 vectors produced by pass 10 Test12= 4.20D-13 8.33D-09 XBig12= 5.64D-11 9.38D-07.
      8 vectors produced by pass 11 Test12= 4.20D-13 8.33D-09 XBig12= 1.83D-12 1.54D-07.
      3 vectors produced by pass 12 Test12= 4.20D-13 8.33D-09 XBig12= 1.08D-13 2.77D-08.
      3 vectors produced by pass 13 Test12= 4.20D-13 8.33D-09 XBig12= 4.88D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.217887D+03
      2 -0.951776D+00  0.143262D+03
      3  0.177291D+01 -0.746925D+01  0.158168D+03
 Isotropic polarizability for W=    0.088559      173.11 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.162388D+03  0.511718D+02 -0.259066D+02
      2  -0.930257D+02 -0.272261D+02  0.367158D+02
      3  -0.693628D+02 -0.239457D+02 -0.108092D+02
      4  -0.282264D+02  0.653673D+02 -0.195608D+02
      5  -0.275770D+02 -0.268854D+02  0.111709D+03
      6   0.565240D+00  0.220880D+02 -0.273832D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.104934D+02 -0.882753D+01  0.220769D+02
      2   0.324520D+01 -0.950081D+01  0.503277D+02
      3  -0.119718D+03 -0.324933D+02  0.163752D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.732456D+01 -0.146278D+02  0.343750D+01
      2   0.167044D+01 -0.201260D+02  0.181071D+03
      3  -0.793982D+02 -0.158393D+03  0.274506D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.160605D+01 -0.224090D+00  0.149151D+02
      2  -0.224090D+00 -0.209060D+01 -0.162379D+01
      3   0.149151D+02 -0.162379D+01 -0.313444D+01
 OR G Eigenvalues:   -15.9524    -2.0957    14.4290  Iso=     1.2063
 Eigenvectors:
   (1)  -0.644819   0.078636   0.760279
   (2)   0.107415   0.994145  -0.011723
   (3)   0.756750  -0.074107   0.649490
 w=    0.088559 a.u., Optical Rotation Beta=      1.2063 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      296.54 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  128778 ScalPx= 4.18D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.18D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.00D-14 2.78D-09 XBig12= 1.00D+00 2.98D-01.
     30 vectors produced by pass  1 Test12= 7.00D-14 2.78D-09 XBig12= 2.21D-02 2.68D-02.
     30 vectors produced by pass  2 Test12= 7.00D-14 2.78D-09 XBig12= 2.95D-03 6.51D-03.
     30 vectors produced by pass  3 Test12= 7.00D-14 2.78D-09 XBig12= 9.45D-05 8.38D-04.
     30 vectors produced by pass  4 Test12= 7.00D-14 2.78D-09 XBig12= 2.73D-06 1.93D-04.
     30 vectors produced by pass  5 Test12= 7.00D-14 2.78D-09 XBig12= 4.26D-08 2.67D-05.
     30 vectors produced by pass  6 Test12= 7.00D-14 2.78D-09 XBig12= 6.26D-10 3.04D-06.
     30 vectors produced by pass  7 Test12= 7.00D-14 2.78D-09 XBig12= 8.73D-12 2.18D-07.
     30 vectors produced by pass  8 Test12= 7.00D-14 2.78D-09 XBig12= 9.29D-14 2.37D-08.
     13 vectors produced by pass  9 Test12= 7.00D-14 2.78D-09 XBig12= 1.15D-14 7.22D-09.
      5 vectors produced by pass 10 Test12= 7.00D-14 2.78D-09 XBig12= 8.86D-15 5.30D-09.
      5 vectors produced by pass 11 Test12= 7.00D-14 2.78D-09 XBig12= 3.73D-14 1.29D-08.
      3 vectors produced by pass 12 Test12= 7.00D-14 2.78D-09 XBig12= 1.94D-14 6.61D-09.
      1 vectors produced by pass 13 Test12= 7.00D-14 2.78D-09 XBig12= 9.33D-15 7.62D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.44D-15
 Solved reduced A of dimension   297 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.98D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  128778 ScalPx= 1.98D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  128778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.21D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217887D+03 -0.951776D+00  0.177291D+01
      2  -0.951776D+00  0.143262D+03 -0.746925D+01
      3   0.177291D+01 -0.746925D+01  0.158168D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.104934D+02 -0.882753D+01  0.220769D+02
      2   0.324520D+01 -0.950081D+01  0.503277D+02
      3  -0.119718D+03 -0.324933D+02  0.163752D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.162388D+03  0.511718D+02 -0.259066D+02
      2  -0.930257D+02 -0.272261D+02  0.367158D+02
      3  -0.693628D+02 -0.239457D+02 -0.108092D+02
      4  -0.282264D+02  0.653673D+02 -0.195608D+02
      5  -0.275770D+02 -0.268854D+02  0.111709D+03
      6   0.565240D+00  0.220880D+02 -0.273832D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.105797D+02  0.288576D+00  0.649029D+00  0.571777D+01  0.218478D+01
      2   0.288576D+00  0.124840D+01 -0.105172D+00  0.218478D+01  0.190852D+01
      3   0.649029D+00 -0.105172D+00  0.118597D+01 -0.506953D+00 -0.276854D+01
                 6             7             8             9            10 
      1  -0.506953D+00 -0.939692D+01  0.315985D+00 -0.485160D+00  0.315483D+02
      2  -0.276854D+01  0.315985D+00 -0.120319D+01 -0.100153D+01  0.175279D+01
      3  -0.212794D+01 -0.485160D+00 -0.100153D+01 -0.162781D+01 -0.147982D+01
                11            12            13            14            15 
      1   0.175279D+01 -0.147982D+01 -0.422806D+00  0.408365D+01  0.124649D+01
      2   0.183860D+01 -0.837514D+00  0.408365D+01 -0.119565D+01 -0.125102D+00
      3  -0.837514D+00  0.300807D+01  0.124649D+01 -0.125102D+00 -0.990611D+00
                16            17            18            19            20 
      1  -0.444379D+01  0.128146D+01  0.137214D+01  0.780715D+01 -0.382439D+00
      2   0.128146D+01 -0.614351D-01 -0.949027D+00 -0.382439D+00 -0.115351D+01
      3   0.137214D+01 -0.949027D+00 -0.534562D+00 -0.722581D+00 -0.446737D+00
                21            22            23            24            25 
      1  -0.722581D+00  0.386154D+01 -0.149870D+01 -0.117866D+01 -0.131590D+02
      2  -0.446737D+00 -0.149870D+01  0.240743D+01 -0.211988D+01  0.155895D+00
      3  -0.295287D+01 -0.117866D+01 -0.211988D+01 -0.111770D+01  0.545430D+00
                26            27            28            29            30 
      1   0.155895D+00  0.545430D+00 -0.286887D+02 -0.141742D+00  0.134286D+01
      2  -0.680898D+00 -0.826041D+00 -0.141742D+00 -0.141289D+01  0.307238D+00
      3  -0.826041D+00 -0.145453D+01  0.134286D+01  0.307238D+00 -0.266044D+01
                31            32            33            34            35 
      1   0.281543D+01 -0.485770D+01 -0.147778D+01  0.316020D+01 -0.149542D+01
      2  -0.485770D+01  0.925527D+00  0.441632D+00 -0.149542D+01 -0.675140D-01
      3  -0.147778D+01  0.441632D+00  0.171252D+00 -0.834538D+00 -0.726086D+00
                36            37            38            39            40 
      1  -0.834538D+00  0.125919D+02 -0.741482D+00 -0.109791D+01 -0.430916D+01
      2  -0.726086D+00 -0.741482D+00 -0.228936D+01  0.128163D+01 -0.167642D+01
      3   0.965042D+00 -0.109791D+01  0.128163D+01 -0.164853D+01 -0.369624D-01
                41            42            43            44            45 
      1  -0.167642D+01 -0.369624D-01  0.108877D+02 -0.192904D+01  0.501477D+00
      2  -0.272539D+01  0.235983D+01 -0.192904D+01  0.125405D+01  0.130452D+01
      3   0.235983D+01  0.202662D+01  0.501477D+00  0.130452D+01  0.136610D+01
                46            47            48            49            50 
      1  -0.932395D+01  0.828877D+00  0.894721D+00 -0.197147D+01  0.137490D+01
      2   0.828877D+00  0.150826D+01 -0.523772D+00  0.137490D+01 -0.352927D+01
      3   0.894721D+00 -0.523772D+00  0.303366D+01  0.201805D+01  0.203119D+01
                51            52            53            54            55 
      1   0.201805D+01  0.131791D+02  0.151419D+01 -0.881144D+00 -0.156659D+02
      2   0.203119D+01  0.151419D+01 -0.155755D+00  0.138800D+01 -0.277168D+01
      3   0.103468D+01 -0.881144D+00  0.138800D+01  0.924038D+00 -0.334074D+00
                56            57            58            59            60 
      1  -0.277168D+01 -0.334074D+00 -0.669735D+01 -0.664888D+01 -0.216466D+00
      2  -0.372221D+01  0.824322D-01 -0.664888D+01  0.886333D+00 -0.199320D+01
      3   0.824322D-01 -0.158909D+01 -0.216466D+00 -0.199320D+01  0.182318D+01
                61            62            63            64            65 
      1  -0.142371D+01 -0.405824D+00 -0.311040D+01 -0.389642D+01  0.437088D+01
      2  -0.405824D+00 -0.258271D+01  0.287400D+01  0.437088D+01  0.283452D+01
      3  -0.311040D+01  0.287400D+01  0.494562D+01  0.244370D+01 -0.318211D+00
                66            67            68            69            70 
      1   0.244370D+01  0.132153D+02  0.490116D+01 -0.169397D+00  0.561438D+01
      2  -0.318211D+00  0.490116D+01  0.144773D+01  0.320747D+01  0.644353D+00
      3   0.580100D+00 -0.169397D+00  0.320747D+01 -0.244199D+01  0.449106D-01
                71            72            73            74            75 
      1   0.644353D+00  0.449106D-01  0.276658D+01 -0.344756D+01 -0.253550D+01
      2   0.325530D+01 -0.214485D+01 -0.344756D+01 -0.336053D+01 -0.324699D-01
      3  -0.214485D+01 -0.419177D+01 -0.253550D+01 -0.324699D-01 -0.127038D+01
                76            77            78            79            80 
      1  -0.520784D+01 -0.453934D+01 -0.419316D-01 -0.318369D+01  0.145445D+00
      2  -0.453934D+01 -0.935876D+00 -0.442676D+01  0.145445D+00 -0.336343D+01
      3  -0.419316D-01 -0.442676D+01  0.262929D+01 -0.342348D+00  0.222177D+01
                81            82            83            84            85 
      1  -0.342348D+00  0.317103D+01 -0.390078D+01 -0.153615D+01 -0.570159D+01
      2   0.222177D+01 -0.390078D+01 -0.358370D+01  0.226520D+00 -0.375548D+01
      3   0.207870D+01 -0.153615D+01  0.226520D+00 -0.733221D+00 -0.209593D+00
                86            87            88            89            90 
      1  -0.375548D+01 -0.209593D+00 -0.208547D+01 -0.871280D+00 -0.627629D+00
      2  -0.268998D+01 -0.237921D+01 -0.871280D+00 -0.299932D+01  0.161737D+01
      3  -0.237921D+01  0.263944D+01 -0.627629D+00  0.161737D+01  0.638011D+01
                91            92            93            94            95 
      1   0.584453D+01  0.230379D+01  0.259878D+00 -0.866424D+00  0.544823D+01
      2   0.230379D+01  0.156338D+01  0.949669D+00  0.544823D+01 -0.386677D+01
      3   0.259878D+00  0.949669D+00  0.129901D+01  0.175337D+01 -0.312362D+00
                96            97            98            99           100 
      1   0.175337D+01  0.336934D+01  0.171810D+01  0.174979D+01  0.267087D+01
      2  -0.312362D+00  0.171810D+01  0.146928D+01  0.177282D+01 -0.199683D+01
      3   0.137371D+01  0.174979D+01  0.177282D+01 -0.437833D+01  0.144530D+01
               101           102           103           104           105 
      1  -0.199683D+01  0.144530D+01 -0.132116D+01 -0.844584D+00 -0.128123D+01
      2   0.727400D+00 -0.885503D+00 -0.844584D+00  0.372472D+01 -0.111650D+00
      3  -0.885503D+00  0.391999D+00 -0.128123D+01 -0.111650D+00 -0.209519D+01
               106           107           108           109           110 
      1   0.247104D+01 -0.292720D+01  0.137649D+01 -0.535266D+01  0.219630D+01
      2  -0.292720D+01  0.307872D+01 -0.256283D+01  0.219630D+01 -0.170207D+01
      3   0.137649D+01 -0.256283D+01  0.259774D+01 -0.347781D+01  0.690409D+00
               111           112           113           114           115 
      1  -0.347781D+01  0.300449D+01 -0.238616D+01  0.129513D+01 -0.771833D+01
      2   0.690409D+00 -0.238616D+01  0.266927D+01 -0.209158D+01  0.318934D+01
      3  -0.180412D+01  0.129513D+01 -0.209158D+01  0.225348D+01 -0.312504D+01
               116           117           118           119           120 
      1   0.318934D+01 -0.312504D+01  0.975420D+00  0.181514D+00  0.133885D+01
      2  -0.503650D+01  0.213002D+01  0.181514D+00  0.209740D+01  0.480313D+00
      3   0.213002D+01 -0.730763D+01  0.133885D+01  0.480313D+00  0.276360D+00
               121           122           123           124           125 
      1  -0.105641D+00  0.231391D+01  0.160293D+00  0.336730D+01 -0.105859D+01
      2   0.231391D+01 -0.661870D+01  0.684117D+00 -0.105859D+01  0.248748D+01
      3   0.160293D+00  0.684117D+00  0.282639D+00 -0.115542D+01  0.281745D+01
               126           127           128           129           130 
      1  -0.115542D+01  0.201270D+01  0.651875D+00 -0.185039D+01  0.332065D+00
      2   0.281745D+01  0.651875D+00  0.322714D+00 -0.322850D+00  0.153763D+00
      3   0.494140D+01 -0.185039D+01 -0.322850D+00  0.200392D+01 -0.548682D+00
               131           132           133           134           135 
      1   0.153763D+00 -0.548682D+00 -0.242754D+01 -0.910012D+00  0.265451D+01
      2   0.402949D+00 -0.582541D+00 -0.910012D+00 -0.124941D+01  0.150303D+01
      3  -0.582541D+00  0.198629D+01  0.265451D+01  0.150303D+01 -0.715559D+01
               136           137           138           139           140 
      1  -0.372722D+01  0.108830D+01 -0.178274D+01  0.170579D+01 -0.592782D+00
      2   0.108830D+01 -0.833080D+00  0.605475D+00 -0.592782D+00  0.695116D+00
      3  -0.178274D+01  0.605475D+00 -0.179964D+01  0.112718D+01 -0.655852D+00
               141           142           143           144           145 
      1   0.112718D+01 -0.242624D+01  0.904010D+00 -0.242611D+01 -0.211249D+01
      2  -0.655852D+00  0.904010D+00 -0.130171D+01  0.140411D+01 -0.642475D+00
      3   0.173326D+01 -0.242611D+01  0.140411D+01 -0.442810D+01  0.204383D+01
               146           147           148           149           150 
      1  -0.642475D+00  0.204383D+01 -0.425996D+00 -0.176961D+00  0.678986D+00
      2  -0.392657D+00  0.657688D+00 -0.176961D+00 -0.685390D+00  0.896389D+00
      3   0.657688D+00 -0.226940D+01  0.678986D+00  0.896389D+00 -0.234101D+01
               151           152           153           154           155 
      1   0.219721D+01  0.104832D+01 -0.264403D+01  0.359503D+01 -0.109223D+01
      2   0.104832D+01  0.174426D+01 -0.243157D+01 -0.109223D+01  0.112267D+01
      3  -0.264403D+01 -0.243157D+01  0.739247D+01  0.240646D+01 -0.109752D+01
               156           157           158           159           160 
      1   0.240646D+01 -0.211391D+01  0.850561D+00 -0.145563D+01  0.261644D+01
      2  -0.109752D+01  0.850561D+00 -0.106931D+01  0.103584D+01 -0.125817D+01
      3   0.217689D+01 -0.145563D+01  0.103584D+01 -0.207244D+01  0.273299D+01
               161           162           163           164           165 
      1  -0.125817D+01  0.273299D+01  0.157145D+01 -0.389546D+00 -0.157104D+01
      2   0.185914D+01 -0.212177D+01 -0.389546D+00  0.915333D+00  0.440861D+00
      3  -0.212177D+01  0.468836D+01 -0.157104D+01  0.440861D+00  0.135028D+01
               166           167           168           169           170 
      1   0.121082D+01  0.147641D+01  0.422865D+00 -0.485405D+01  0.706800D+00
      2   0.147641D+01 -0.116947D+01 -0.117974D+01  0.706800D+00 -0.196775D+01
      3   0.422865D+00 -0.117974D+01 -0.130812D+01  0.300966D+01 -0.253390D+01
               171           172           173           174           175 
      1   0.300966D+01  0.340569D+01 -0.183335D+01  0.100028D+01 -0.285950D+01
      2  -0.253390D+01 -0.183335D+01  0.242044D+01 -0.363725D+00  0.321909D+01
      3  -0.675886D+01  0.100028D+01 -0.363725D+00  0.714978D+00 -0.524590D+00
               176           177           178           179           180 
      1   0.321909D+01 -0.524590D+00  0.467277D+01 -0.942051D+00  0.115880D+01
      2  -0.565199D+01  0.134841D+01 -0.942051D+00  0.280062D+01 -0.153204D+01
      3   0.134841D+01 -0.119074D+01  0.115880D+01 -0.153204D+01  0.869332D+00
               181           182           183           184           185 
      1   0.131062D+02 -0.151582D+01 -0.168990D+01 -0.345588D+01  0.111420D+01
      2  -0.151582D+01  0.129607D+01  0.216363D+00  0.111420D+01 -0.102463D+01
      3  -0.168990D+01  0.216363D+00  0.158032D+01  0.164170D+00 -0.692839D+00
               186           187           188           189           190 
      1   0.164170D+00 -0.247884D+01  0.527018D-02  0.193977D+01  0.431946D+01
      2  -0.692839D+00  0.527018D-02 -0.810772D+00  0.826726D-01  0.305616D+01
      3  -0.149424D+00  0.193977D+01  0.826726D-01 -0.344135D+00  0.225966D+01
               191           192           193           194           195 
      1   0.305616D+01  0.225966D+01  0.408674D+01  0.379302D+01  0.197620D+01
      2   0.296366D+01  0.128069D+01  0.379302D+01  0.492399D+01  0.257693D+01
      3   0.128069D+01  0.195841D+01  0.197620D+01  0.257693D+01  0.222365D+01
               196           197           198           199           200 
      1   0.131930D+01  0.896709D+00  0.152498D+01  0.131973D+01 -0.657082D+00
      2   0.896709D+00  0.136761D+01  0.115726D+01 -0.657082D+00  0.134384D+01
      3   0.152498D+01  0.115726D+01  0.137417D+01  0.152531D+01 -0.666237D+00
               201           202           203           204           205 
      1   0.152531D+01 -0.169888D+01  0.133696D+01 -0.139880D+01  0.167771D+01
      2  -0.666237D+00  0.133696D+01 -0.345458D+01  0.261143D+01 -0.659959D+00
      3   0.153404D+01 -0.139880D+01  0.261143D+01 -0.371015D+01  0.152287D+01
               206           207           208           209           210 
      1  -0.659959D+00  0.152287D+01 -0.658648D+01  0.370091D+00  0.689482D+00
      2   0.216319D+01 -0.202458D+01  0.370091D+00 -0.134725D+01 -0.823500D+00
      3  -0.202458D+01  0.381882D+01  0.689482D+00 -0.823500D+00 -0.216030D+01
               211           212           213           214           215 
      1   0.763133D+00 -0.482227D+00 -0.569734D+00  0.102470D+01 -0.311819D+00
      2  -0.482227D+00  0.930083D+00  0.867947D+00 -0.311819D+00  0.694241D+00
      3  -0.569734D+00  0.867947D+00  0.501700D+00 -0.723110D+00  0.145989D+00
               216           217           218           219           220 
      1  -0.723110D+00 -0.663248D+01  0.584695D+00  0.688293D+00  0.959607D+00
      2   0.145989D+00  0.584695D+00 -0.239626D+01  0.373819D+00 -0.100345D+01
      3   0.118200D+01  0.688293D+00  0.373819D+00 -0.118699D+01  0.139133D+00
               221           222           223           224           225 
      1  -0.100345D+01  0.139133D+00  0.100283D+01 -0.699086D-01 -0.423565D+00
      2   0.154720D+01  0.157380D+00 -0.699086D-01  0.786930D+00  0.153863D+00
      3   0.157380D+00  0.245666D+00 -0.423565D+00  0.153863D+00 -0.375935D+00
               226           227           228           229           230 
      1   0.290322D+00  0.408254D+00 -0.101070D+01 -0.447672D-01  0.323347D+00
      2   0.408254D+00  0.554900D+00 -0.763111D-01  0.323347D+00 -0.288621D-01
      3  -0.101070D+01 -0.763111D-01  0.952250D+00  0.987153D-01 -0.576002D+00
               231           232           233           234           235 
      1   0.987153D-01 -0.167776D+01 -0.390202D+00  0.133003D+01  0.377946D+01
      2  -0.576002D+00 -0.390202D+00 -0.148882D+01  0.530440D+00  0.367446D+01
      3  -0.119555D+01  0.133003D+01  0.530440D+00 -0.890837D+01 -0.302900D-01
               236           237           238           239           240 
      1   0.367446D+01 -0.302900D-01  0.362773D+01  0.432342D+01 -0.160236D+00
      2   0.419741D+01 -0.214036D+00  0.432342D+01  0.728374D+01 -0.851151D-01
      3  -0.214036D+00  0.102620D+01 -0.160236D+00 -0.851151D-01  0.833605D+00
               241           242           243           244           245 
      1   0.109598D+01  0.811532D+00  0.776083D+00  0.396824D+00 -0.904453D+00
      2   0.811532D+00  0.163050D+01  0.643007D+00 -0.904453D+00 -0.475119D+00
      3   0.776083D+00  0.643007D+00 -0.166197D+00  0.127168D+01  0.747562D-01
               246           247           248           249           250 
      1   0.127168D+01 -0.134997D+01 -0.986268D+00  0.181719D+00  0.280265D+01
      2   0.747562D-01 -0.986268D+00 -0.598772D+00  0.109589D+01  0.238743D+00
      3  -0.112268D+01  0.181719D+00  0.109589D+01 -0.126645D+01 -0.189353D+01
               251           252           253           254           255 
      1   0.238743D+00 -0.189353D+01  0.795146D+01 -0.456773D+00 -0.180518D+01
      2   0.164129D+01 -0.113185D+01 -0.456773D+00 -0.332891D+01 -0.729642D+00
      3  -0.113185D+01  0.601642D+01 -0.180518D+01 -0.729642D+00 -0.978694D+00
               256           257           258           259           260 
      1  -0.483301D+01 -0.346678D+01 -0.111151D+01 -0.632149D+01 -0.129289D+01
      2  -0.346678D+01  0.420508D+01 -0.114733D+01 -0.129289D+01 -0.223542D+01
      3  -0.111151D+01 -0.114733D+01 -0.171560D+01 -0.138440D+01 -0.125249D+01
               261           262           263           264           265 
      1  -0.138440D+01 -0.101685D+01  0.149041D+01  0.559824D+00  0.173004D+01
      2  -0.125249D+01  0.149041D+01 -0.204090D+01 -0.530121D+00 -0.292862D+01
      3   0.385798D+01  0.559824D+00 -0.530121D+00 -0.463479D+00 -0.627790D+00
               266           267           268           269           270 
      1  -0.292862D+01 -0.627790D+00 -0.212665D+00  0.526121D+00 -0.203325D+00
      2   0.101791D+02  0.213757D+01  0.526121D+00 -0.144574D+01  0.539823D+00
      3   0.213757D+01  0.194111D+01 -0.203325D+00  0.539823D+00  0.564326D+00
               271           272           273           274           275 
      1  -0.152122D+02 -0.198558D+01  0.262944D+00  0.748952D+00 -0.994743D+00
      2  -0.198558D+01 -0.153922D+01 -0.143389D+00 -0.994743D+00 -0.506057D+00
      3   0.262944D+00 -0.143389D+00 -0.113802D+01  0.945902D-01  0.194420D+00
               276           277           278           279           280 
      1   0.945902D-01  0.249500D+01  0.487168D+00 -0.115193D+01  0.617543D-01
      2   0.194420D+00  0.487168D+00  0.656811D+00 -0.388923D-01 -0.657417D+00
      3   0.247623D+00 -0.115193D+01 -0.388923D-01  0.492956D-01  0.307776D+00
               281           282           283           284           285 
      1  -0.657417D+00  0.307776D+00 -0.164150D+01 -0.373924D+00 -0.448522D-01
      2   0.215704D+01  0.238577D+00 -0.373924D+00 -0.853857D+01 -0.609901D-01
      3   0.238577D+00  0.413114D+00 -0.448522D-01 -0.609901D-01 -0.992157D+00
               286           287           288           289           290 
      1   0.105185D+01  0.333855D+00  0.583835D-02 -0.390856D+00  0.270273D+00
      2   0.333855D+00  0.127387D+01 -0.714231D+00  0.270273D+00  0.465638D+00
      3   0.583835D-02 -0.714231D+00 -0.120856D+00 -0.465792D+00  0.210260D+00
               291           292           293           294           295 
      1  -0.465792D+00  0.124745D+01  0.315602D+00  0.203921D+00 -0.219601D+01
      2   0.210260D+00  0.315602D+00  0.152452D+00 -0.337770D+00 -0.400921D+00
      3   0.292292D+00  0.203921D+00 -0.337770D+00  0.767861D+00 -0.834084D+00
               296           297 
      1  -0.400921D+00 -0.834084D+00
      2  -0.151291D+01 -0.294457D+00
      3  -0.294457D+00 -0.625924D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.247334D+01 -0.222136D+01  0.158994D+01 -0.782870D+01 -0.212681D+01
      2   0.343431D+01 -0.230745D+01  0.870539D+01 -0.229603D+01  0.217215D+01
      3   0.186145D+02 -0.151672D+01  0.271650D+01  0.743320D+01 -0.186523D+01
                 6             7             8             9            10 
      1  -0.249478D+01 -0.768358D+00  0.197630D+01  0.149214D+00 -0.431063D+01
      2  -0.347198D+01 -0.432386D+01 -0.105882D+01  0.232775D+01 -0.185324D+00
      3   0.269880D+01  0.149424D+02  0.442160D+00  0.240125D+01 -0.385216D+02
                11            12            13            14            15 
      1  -0.492474D+00  0.114310D+01  0.274720D+01  0.426604D+01 -0.884887D+01
      2   0.612732D+00 -0.258892D+01  0.508505D+01  0.159746D+00  0.181692D+00
      3  -0.132669D+01  0.151554D+01  0.108608D+02 -0.188874D+01 -0.984169D+00
                16            17            18            19            20 
      1  -0.416204D+01 -0.214672D+01 -0.465929D+01 -0.650751D+00  0.130386D+01
      2  -0.232458D+02 -0.160891D+01 -0.337986D+01 -0.431290D+01 -0.210067D+01
      3   0.108096D+01 -0.149182D+01 -0.453152D+00 -0.107752D+02 -0.184067D+01
                21            22            23            24            25 
      1  -0.139284D+01  0.574658D+01 -0.203340D+01 -0.326252D+01  0.524880D+01
      2   0.349327D+01 -0.411581D+01 -0.211590D+01  0.117198D+01 -0.152804D+01
      3   0.271932D+01  0.802366D+01  0.118198D+01 -0.222265D+01  0.190159D+02
                26            27            28            29            30 
      1   0.131937D+01 -0.192919D+01  0.241983D+01  0.826642D+00 -0.340682D+01
      2   0.563995D+00 -0.212678D+01  0.278149D-01  0.212505D+01 -0.418628D+01
      3  -0.919245D+00 -0.451268D+01  0.316609D+02  0.112294D+01 -0.296231D+01
                31            32            33            34            35 
      1  -0.161699D+01  0.479275D+01 -0.855919D+01 -0.607582D+01 -0.815128D+00
      2   0.481659D+01 -0.628060D+00  0.228175D+01 -0.256081D+02  0.388171D+01
      3   0.845183D+01  0.573938D+01  0.926916D+00 -0.682523D+01 -0.205606D+01
                36            37            38            39            40 
      1  -0.308476D+01 -0.364833D+01 -0.553141D+00 -0.114256D+01 -0.506545D+01
      2   0.727998D-01 -0.106256D+01 -0.232313D+01  0.774689D+01 -0.353282D+01
      3   0.265751D+01 -0.150101D+02 -0.171592D+00  0.281101D+01  0.149418D+02
                41            42            43            44            45 
      1   0.144095D+01  0.888213D+00 -0.218823D+01  0.346199D+01  0.251899D+01
      2   0.180623D+01 -0.219304D+01 -0.643086D+01 -0.861095D+00  0.200287D+01
      3  -0.299282D+00  0.205464D+01 -0.112565D+02  0.412297D+01  0.126385D+01
                46            47            48            49            50 
      1   0.300818D+01  0.142448D+01  0.288878D+01  0.980549D+01  0.149313D+01
      2  -0.134209D+01 -0.197882D+01  0.325391D+01 -0.420310D+01 -0.187822D+01
      3   0.150715D+02 -0.217917D+01 -0.103503D+01  0.131270D+02  0.169383D+01
                51            52            53            54            55 
      1  -0.242765D+01  0.231398D+01  0.346779D+01 -0.393958D-01  0.218259D+01
      2   0.891816D+00 -0.385169D+01  0.614188D+00 -0.246083D+00 -0.718785D+01
      3  -0.519377D+01 -0.135875D+02 -0.192242D+01 -0.132059D+01  0.257584D+02
                56            57            58            59            60 
      1   0.171005D+01 -0.167434D+00  0.398185D+01 -0.342645D+01  0.305854D+01
      2  -0.380910D+00 -0.315445D+01 -0.379709D+01 -0.118782D+02  0.813844D+01
      3   0.124277D+02 -0.337296D+00  0.389712D+02  0.717217D+01  0.784136D+01
                61            62            63            64            65 
      1  -0.293497D+00  0.799961D+01  0.462959D+01 -0.204758D+01 -0.558676D-01
      2  -0.197642D+02  0.941067D+01  0.164506D+02  0.121254D+02 -0.401450D+00
      3   0.306475D+01  0.103223D+02 -0.526130D+01 -0.285700D+02 -0.153025D+02
                66            67            68            69            70 
      1  -0.739332D+00 -0.337441D+01 -0.224929D+01 -0.263588D+01  0.263448D+01
      2   0.584085D+01  0.448145D+01  0.151977D+02 -0.112452D+02 -0.135382D+01
      3   0.198962D+01 -0.267424D+02 -0.755851D+01 -0.129127D+02 -0.576645D+01
                71            72            73            74            75 
      1   0.479467D+01  0.182819D+01 -0.213354D+01 -0.641617D+01  0.641183D+00
      2  -0.920022D+01 -0.172550D+02 -0.185557D+02  0.564965D+01  0.370375D+01
      3  -0.139565D+02  0.692705D+01  0.181432D+02  0.946668D+01 -0.276436D+01
                76            77            78            79            80 
      1  -0.926992D+01  0.195352D+01 -0.140205D+02  0.476703D+00 -0.728535D+01
      2   0.687370D+01 -0.108110D+02  0.112164D+02  0.383200D+01  0.924991D+01
      3   0.180559D+02  0.976988D+00  0.170846D+02 -0.267431D+01  0.132287D+02
                81            82            83            84            85 
      1   0.325065D+01  0.646889D+01  0.413283D+01  0.136053D+01  0.586209D+01
      2   0.105337D+02 -0.200720D+00 -0.406300D+01 -0.221923D+01 -0.726441D+01
      3  -0.895989D+01  0.254222D+02  0.326855D+01 -0.236392D+01  0.712890D+01
                86            87            88            89            90 
      1   0.907981D+01 -0.429537D+01  0.306696D+01  0.305427D+01 -0.165148D+02
      2  -0.135027D+02  0.103680D+02 -0.570183D+01  0.618607D+01  0.217415D+02
      3   0.204435D+01  0.959309D+01  0.666946D+00  0.106393D+02 -0.630993D+01
                91            92            93            94            95 
      1   0.200297D+00  0.371066D+00  0.222210D+01  0.183399D+01 -0.238984D+01
      2  -0.420506D+01 -0.333961D+01  0.112779D+00 -0.338444D+01 -0.205512D+01
      3  -0.418276D+01 -0.729687D+00  0.308654D+01  0.322045D+02 -0.172226D+02
                96            97            98            99           100 
      1  -0.362648D+01  0.241353D+01  0.505107D+01 -0.114678D+01 -0.530035D+00
      2  -0.665992D+01 -0.151320D+02 -0.565968D+01  0.155584D+02  0.302994D+01
      3  -0.199190D+01  0.215504D+01  0.338014D+01  0.457520D+01  0.113476D+02
               101           102           103           104           105 
      1  -0.634720D+01 -0.575566D+01  0.269055D-01  0.401265D+00  0.343969D+01
      2   0.338528D+01  0.512111D+01  0.143064D+01  0.274429D+01  0.145497D+02
      3  -0.124746D+02 -0.551876D+01 -0.838013D+01  0.378343D+01  0.176217D+01
               106           107           108           109           110 
      1  -0.679647D+01 -0.129919D+01 -0.441008D+01  0.450770D+01  0.308811D+01
      2  -0.335702D+01  0.976720D+01 -0.163553D+02  0.907989D+01 -0.255993D+01
      3  -0.117195D+02  0.176315D+02 -0.617933D+01 -0.502343D+00 -0.537841D+01
               111           112           113           114           115 
      1   0.424378D+01 -0.613937D+00 -0.264432D+00 -0.773514D+01  0.395287D+01
      2   0.861247D+01 -0.447005D+00  0.665944D+01 -0.112436D+02  0.332263D+01
      3   0.495252D+00 -0.380719D+01  0.119610D+02 -0.699535D+01  0.118249D+02
               116           117           118           119           120 
      1   0.598698D+01  0.118999D+02 -0.371716D+01  0.270786D+01  0.112154D-01
      2  -0.614533D+01  0.291557D+02 -0.593679D+01 -0.121879D+01  0.222851D+00
      3  -0.209101D+02  0.570257D+01 -0.350790D+00  0.676814D+01  0.460254D+01
               121           122           123           124           125 
      1   0.866813D+00 -0.492050D+01 -0.239314D+01 -0.178924D+01  0.764607D+01
      2  -0.249372D+01 -0.410448D+01 -0.187474D+01 -0.174335D+01 -0.828695D+01
      3   0.831756D+01 -0.171129D+02  0.246680D+01 -0.967721D+00  0.721989D+01
               126           127           128           129           130 
      1  -0.694311D+01 -0.245460D+01 -0.227103D+01  0.117473D+01 -0.510542D+00
      2  -0.155672D+02  0.489297D+01  0.128905D+01 -0.907078D+00  0.539484D+00
      3   0.879695D+01 -0.534892D+00 -0.895940D+00  0.884075D+00  0.964830D+00
               131           132           133           134           135 
      1  -0.141899D+01 -0.179867D+00  0.341972D+01  0.572718D+01 -0.533214D+01
      2   0.126936D+00  0.415191D+00 -0.556304D+01 -0.706826D+00 -0.208079D+01
      3  -0.250460D+00  0.268051D+00  0.115822D+01  0.232108D+01 -0.164098D+01
               136           137           138           139           140 
      1  -0.267201D+01  0.336500D+01 -0.756988D+00  0.116853D+01 -0.150767D+01
      2  -0.877389D+01  0.194260D+01 -0.860278D+00  0.240788D+01 -0.747002D+00
      3   0.618641D+00 -0.164031D+01  0.897420D+00  0.628265D+00  0.125726D+01
               141           142           143           144           145 
      1  -0.568540D+00 -0.193649D+01  0.425389D+01 -0.271989D+01  0.194455D+01
      2   0.160903D+00 -0.459968D+01  0.642297D+00  0.590676D+00  0.436076D+01
      3  -0.474096D+00  0.748020D+00 -0.275319D+01  0.169016D+01  0.308981D+01
               146           147           148           149           150 
      1  -0.993610D+00 -0.255046D+01  0.101296D+01  0.102805D+00 -0.380295D+01
      2   0.310729D+00 -0.773679D+00  0.382926D+00 -0.860751D-01  0.597280D+00
      3   0.265309D-01 -0.213603D+01  0.188295D+01 -0.332250D+00 -0.648166D+00
               151           152           153           154           155 
      1  -0.180288D+01  0.240617D+01  0.603957D+01  0.302340D+01  0.150967D+01
      2  -0.494914D+01 -0.475553D+00 -0.838670D+00 -0.495421D+01 -0.120678D+00
      3  -0.273987D+01  0.680630D+00  0.234874D+01 -0.587493D+01 -0.124351D+01
               156           157           158           159           160 
      1   0.287356D+01 -0.185695D+01  0.238151D+00 -0.382893D+01  0.288744D+01
      2  -0.440710D-02  0.158753D+01  0.133779D+00 -0.128478D+01 -0.284807D+01
      3  -0.242634D+01  0.444496D+01  0.730187D+00  0.909554D+00 -0.335518D+01
               161           162           163           164           165 
      1   0.136815D+01  0.479738D+01 -0.121460D+01 -0.595455D+00  0.137720D+01
      2  -0.425472D+00  0.198528D+01 -0.580639D+01  0.745322D+00  0.543886D+01
      3  -0.157736D+01 -0.181747D+01 -0.129576D+01 -0.405936D+01  0.676038D+00
               166           167           168           169           170 
      1  -0.350016D+00 -0.875680D-01 -0.222727D+01  0.271095D+01  0.128847D+01
      2   0.173761D+01 -0.284211D+01 -0.459506D+01  0.463050D+01 -0.878040D+01
      3  -0.488303D+01  0.219046D+01  0.277274D+01  0.388010D+01  0.603588D+01
               171           172           173           174           175 
      1  -0.726432D+01  0.174388D+01 -0.142836D+01  0.185091D+01 -0.241943D+01
      2  -0.223710D+02  0.656722D+01 -0.244131D+01  0.488503D+01 -0.298953D+01
      3   0.410177D+01  0.231834D+01 -0.745369D+01  0.127918D+00 -0.485859D+01
               176           177           178           179           180 
      1   0.419804D+01 -0.495721D+01  0.159193D+01 -0.207576D+01  0.283654D+01
      2   0.712749D+01 -0.568676D+01  0.392217D+01 -0.627701D+01  0.376322D+01
      3   0.154830D+02 -0.366101D+01 -0.334024D+01 -0.902884D+01  0.354974D+01
               181           182           183           184           185 
      1   0.254598D+00 -0.606273D+00 -0.244221D+00  0.122216D+00  0.498515D+00
      2  -0.361985D+01  0.602127D+00  0.992457D+01 -0.515581D+00 -0.318357D+01
      3   0.558583D+01 -0.919777D+01 -0.901580D+00 -0.134972D+01  0.465985D+01
               186           187           188           189           190 
      1  -0.103057D+01 -0.383569D+00  0.118632D+01 -0.165407D+00  0.335288D+01
      2  -0.239151D+00  0.575291D+01  0.498221D+00 -0.730795D+00  0.254648D+01
      3   0.336399D+01  0.691693D+00  0.433594D+01 -0.771871D+00 -0.910260D+01
               191           192           193           194           195 
      1   0.531208D+01 -0.571712D+00  0.550667D+01  0.724835D+01  0.169098D-01
      2   0.457222D+00  0.661672D+01 -0.481527D-01  0.488643D+01  0.754826D+01
      3  -0.119607D+02 -0.369428D+01 -0.102516D+02 -0.187175D+02 -0.924325D+01
               196           197           198           199           200 
      1   0.118990D+01  0.310753D+01  0.636501D+00 -0.228214D+01  0.333106D+01
      2   0.215523D+01  0.272043D+01  0.355159D+01  0.536182D+01 -0.153876D+01
      3  -0.175008D+01 -0.539421D+01 -0.376967D+01  0.243477D+01 -0.618968D+01
               201           202           203           204           205 
      1  -0.188268D+01  0.275201D+01 -0.998214D+01  0.509162D+01 -0.209906D+01
      2   0.495842D+01 -0.116163D+01  0.901370D+01 -0.140807D+02  0.870457D+00
      3   0.316784D+01 -0.318527D+01  0.150638D+02 -0.101913D+02  0.241848D+01
               206           207           208           209           210 
      1   0.795996D+01 -0.552778D+01 -0.178251D+01 -0.288881D+01  0.141395D+01
      2  -0.748347D+01  0.131949D+02  0.204819D+02 -0.348419D+01 -0.868595D+01
      3  -0.911106D+01  0.827096D+01 -0.956512D+01  0.377973D+01  0.409818D+01
               211           212           213           214           215 
      1  -0.114426D+01  0.305867D+00 -0.137937D+00  0.990862D+00  0.222673D+01
      2  -0.288082D+01  0.480321D+01  0.239993D+01 -0.830354D+01  0.105038D+01
      3   0.407383D+01 -0.295346D+01 -0.345267D+01  0.213322D+01 -0.224795D+01
               216           217           218           219           220 
      1  -0.318793D+00 -0.883480D+00  0.217801D+01  0.294239D+01  0.109791D+01
      2   0.542033D+01 -0.763059D+01  0.198567D+01 -0.151174D+01  0.189009D+01
      3  -0.148070D+01 -0.215967D+02  0.783747D+01  0.682104D-01  0.709849D+01
               221           222           223           224           225 
      1  -0.161963D+01 -0.121050D+01  0.163241D+01  0.571519D+00  0.734492D-01
      2  -0.937962D+00 -0.101910D+00 -0.285100D+01 -0.105545D+00 -0.180994D+01
      3  -0.656099D+01 -0.617104D+00  0.185828D+01 -0.287390D+01 -0.152958D+01
               226           227           228           229           230 
      1   0.127999D+01 -0.576221D+00 -0.140451D+01 -0.190110D+00  0.171016D+01
      2  -0.446502D+01 -0.234849D+00  0.306165D+01 -0.536453D+00 -0.176718D+01
      3  -0.257046D+01 -0.231130D+01 -0.807497D+00 -0.181329D+00  0.110300D+01
               231           232           233           234           235 
      1   0.177350D+01 -0.127226D+01  0.496968D+01  0.160890D+02 -0.432406D+01
      2  -0.469898D+01 -0.107761D+01  0.106612D+01 -0.312597D+02  0.367527D+01
      3   0.167866D+01 -0.124869D+01  0.524193D+01 -0.202247D+01 -0.722188D+01
               236           237           238           239           240 
      1  -0.469711D+01 -0.340454D+01 -0.557652D+01 -0.850366D+01 -0.423115D+01
      2   0.264180D+01  0.576523D+01  0.364937D+01  0.399617D+01  0.411610D+01
      3  -0.117296D+02  0.122803D+01 -0.617098D+01 -0.213349D+02  0.218165D+00
               241           242           243           244           245 
      1  -0.224669D+01 -0.163440D+01 -0.862062D+00  0.133899D+00 -0.331901D+00
      2   0.332641D+01  0.276099D+01  0.204733D+00 -0.559003D+01  0.162232D+00
      3  -0.815503D+00 -0.554288D+01 -0.127650D+01 -0.290804D+01 -0.173105D+01
               246           247           248           249           250 
      1  -0.838060D+00  0.248774D-01 -0.871525D-01 -0.109813D+01 -0.133355D+01
      2   0.383426D+01  0.521339D+00 -0.261464D+01  0.423942D+01  0.567348D+00
      3  -0.453854D+00 -0.383421D+00 -0.103090D+01  0.277529D+01 -0.143797D+01
               251           252           253           254           255 
      1   0.293290D+01  0.313708D+01 -0.198072D+01  0.109909D+01 -0.207279D+01
      2   0.377400D+01 -0.182745D+02  0.153814D+02  0.343139D+01  0.614133D+01
      3   0.417975D+01 -0.217337D+01 -0.161415D+02 -0.147954D+02  0.206263D+00
               256           257           258           259           260 
      1  -0.119591D+01 -0.589951D+01 -0.349790D+01 -0.638491D+00  0.114532D+01
      2   0.418041D+01  0.413009D+01  0.584438D+01  0.429496D+01  0.464479D+01
      3  -0.578009D+01  0.219425D+02 -0.318931D+01  0.207349D+01 -0.589099D+01
               261           262           263           264           265 
      1   0.901148D+01  0.592842D+00 -0.108599D+01  0.887722D+00 -0.254842D+01
      2  -0.189448D+02 -0.958324D+00  0.647410D+00  0.114542D+01  0.916368D-01
      3  -0.436112D+01  0.302147D+01 -0.452991D+01 -0.184566D+01 -0.385108D+01
               266           267           268           269           270 
      1   0.890683D+01 -0.263837D+01  0.246295D+00 -0.527285D+00  0.109235D+01
      2  -0.450807D+01 -0.603620D+01  0.180481D+00 -0.152697D+01 -0.117105D+01
      3   0.303376D+02  0.654298D+01  0.128456D+01 -0.518633D+01  0.151301D+01
               271           272           273           274           275 
      1   0.121968D+01  0.632286D+00 -0.235779D+01  0.744564D+00  0.601844D+00
      2  -0.828798D+01 -0.218159D+00  0.843516D+01 -0.677642D+00 -0.126382D+01
      3   0.153095D+02 -0.654358D+01 -0.116263D+01 -0.354226D+01 -0.515877D+00
               276           277           278           279           280 
      1  -0.147628D+00 -0.185563D+01  0.680681D+00 -0.418657D-01  0.136352D+01
      2  -0.689920D+00  0.416064D+01 -0.181803D+00 -0.272738D+00 -0.107005D+01
      3   0.833237D+00 -0.179595D+01  0.202806D+01  0.171170D+01 -0.458131D+01
               281           282           283           284           285 
      1  -0.774105D+00  0.165627D+01 -0.339367D+00  0.518676D+01 -0.435607D+01
      2  -0.955937D+00 -0.131796D+01 -0.868746D+00  0.255955D+00  0.338052D+01
      3   0.798456D+01 -0.137689D+00  0.490635D+01 -0.305555D+02  0.330916D+00
               286           287           288           289           290 
      1   0.610776D+00 -0.853314D+00  0.345695D+00 -0.153792D+01 -0.657021D+00
      2  -0.157371D+01  0.229776D+01  0.528198D+00  0.406580D+01 -0.550847D-01
      3  -0.127420D+01  0.399131D+01 -0.250986D+01  0.138472D+01  0.890894D+00
               291           292           293           294           295 
      1   0.411043D+00 -0.285333D+00 -0.217323D+01  0.861781D+00 -0.220804D+00
      2  -0.172765D+01  0.153728D+01  0.171081D+01 -0.339967D+01 -0.215087D+01
      3   0.991223D+00  0.792559D+00  0.402769D+00 -0.145795D+01  0.155804D+01
               296           297 
      1   0.368317D+01 -0.111102D+02
      2   0.130874D+00  0.247154D+02
      3  -0.493873D+01  0.840027D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.568257D+00 -0.656850D+01  0.172839D+02  0.147102D+02 -0.151129D+01
      2   0.759499D+01  0.293009D+01 -0.709429D+01 -0.424673D+01  0.238836D+01
      3  -0.702674D+01  0.363841D+01 -0.101896D+02 -0.104634D+02 -0.877072D+00
      4   0.952956D+00  0.263091D+01 -0.119895D+01  0.923928D+01  0.576696D+01
      5   0.188983D+02 -0.165735D+00 -0.774211D+01 -0.921114D+01 -0.354489D+01
      6  -0.623263D+00 -0.320333D+01  0.101888D+01 -0.139098D+01  0.385045D+01
                 6             7             8             9            10 
      1  -0.177342D+02 -0.226285D+02 -0.848335D+01  0.375646D+01  0.552043D+02
      2   0.231244D+01  0.409472D+01  0.179864D+01  0.454428D+01 -0.272617D+02
      3   0.154217D+02  0.185338D+02  0.668472D+01 -0.830074D+01 -0.279425D+02
      4  -0.424649D+01  0.499408D+01 -0.216439D+01 -0.427391D+01 -0.114124D+02
      5  -0.246185D+01  0.855219D+01 -0.374407D+01  0.648995D+01 -0.110007D+02
      6   0.126698D+02 -0.598202D+01  0.563220D+01  0.136082D+02  0.327848D+01
                11            12            13            14            15 
      1   0.828804D+01 -0.236319D+01  0.131435D+02 -0.208882D+01  0.459939D+01
      2  -0.803613D+01  0.430780D+01 -0.136050D+02  0.692219D+01 -0.932258D+00
      3  -0.251908D+00 -0.194461D+01  0.461449D+00 -0.483337D+01 -0.366713D+01
      4   0.711257D+00 -0.400177D+01  0.167506D+02 -0.801088D+01 -0.754871D+00
      5  -0.482657D+01  0.892309D+01  0.116648D+02 -0.173227D+00 -0.349421D+01
      6   0.108370D+01 -0.719158D+01 -0.455323D+01  0.396540D+01  0.931609D+01
                16            17            18            19            20 
      1  -0.859739D+01  0.383746D+01 -0.170554D+02 -0.937450D+00  0.331244D+01
      2  -0.543534D+00  0.532481D+01  0.177498D+01 -0.310870D+01 -0.162736D+01
      3   0.914092D+01 -0.916227D+01  0.152805D+02  0.404615D+01 -0.168508D+01
      4   0.121518D+02  0.582273D+00 -0.440843D+01  0.198836D+01 -0.397183D-01
      5  -0.115983D+02 -0.390856D+01 -0.413986D+01 -0.158958D+02  0.312657D+01
      6  -0.642291D+01  0.200293D+01 -0.329745D+01  0.394517D+01  0.485624D+01
                21            22            23            24            25 
      1  -0.217344D+02 -0.948954D+01 -0.563173D+01 -0.496517D+01  0.221081D+02
      2   0.588444D+01 -0.183178D+01  0.600797D+01 -0.248115D+00  0.929283D-01
      3   0.158499D+02  0.113213D+02 -0.376243D+00  0.521329D+01 -0.222011D+02
      4   0.351258D+01  0.333000D+01 -0.932093D+00  0.321899D+01  0.463648D+01
      5  -0.886550D+00  0.195348D+01  0.111504D+01  0.692472D+01  0.119369D+02
      6   0.575878D+01  0.288681D+01  0.246824D+01  0.781039D+01  0.988223D+01
                26            27            28            29            30 
      1  -0.802765D+01  0.535308D+01  0.196926D+02 -0.198109D+01  0.135350D+01
      2   0.147846D+01 -0.210677D+01 -0.334153D+01  0.634301D+01  0.905621D+00
      3   0.654919D+01 -0.324631D+01 -0.163511D+02 -0.436192D+01 -0.225912D+01
      4   0.325953D+01  0.605141D+01  0.255987D+02  0.229764D+00 -0.239166D+01
      5   0.482839D+01 -0.567715D+01  0.369872D+01 -0.184713D+01  0.560100D+01
      6   0.184091D+01  0.994837D+01  0.349335D+01 -0.109908D+01  0.511136D+01
                31            32            33            34            35 
      1  -0.907073D+00 -0.118941D+01  0.611808D+01 -0.667414D+01  0.874054D+01
      2   0.637225D+01  0.483169D+01 -0.173369D+01  0.132273D+01  0.284864D+01
      3  -0.546518D+01 -0.364228D+01 -0.438439D+01  0.535142D+01 -0.115892D+02
      4   0.147448D+02  0.171906D+00  0.150227D+01  0.993329D+01  0.515934D+01
      5   0.102925D+02  0.638263D+00  0.979083D+00 -0.145461D+02  0.266019D+01
      6  -0.879732D+00  0.371603D+01  0.581320D+01 -0.101869D+01  0.153577D+01
                36            37            38            39            40 
      1  -0.154179D+02  0.596902D+01 -0.120327D+02  0.181319D+02  0.434099D+01
      2   0.192947D+01  0.609398D+00  0.123692D+02 -0.115867D+02  0.431352D+01
      3   0.134884D+02 -0.657842D+01 -0.336493D+00 -0.654519D+01 -0.865451D+01
      4   0.172347D+01 -0.901797D+01 -0.818138D+00  0.343029D+01  0.155821D+02
      5  -0.162558D+01  0.954065D+01  0.229789D+01 -0.103820D+02 -0.183479D+01
      6  -0.754805D+01 -0.999920D+00 -0.543354D+01  0.521400D+01 -0.104465D+00
                41            42            43            44            45 
      1  -0.103965D+02 -0.618675D+01 -0.182933D+02 -0.408371D+01  0.757783D+01
      2   0.170061D+02 -0.105837D+02  0.120696D+01 -0.306191D+01 -0.635434D+00
      3  -0.660958D+01  0.167704D+02  0.170863D+02  0.714562D+01 -0.694240D+01
      4   0.598658D+01 -0.221937D+01 -0.221356D+01 -0.202567D+01 -0.676609D+01
      5  -0.106312D+01 -0.147923D+01  0.531106D+01 -0.570604D+01  0.924278D+01
      6  -0.653365D+01  0.481172D+01 -0.999496D+01  0.449218D+00  0.901470D+01
                46            47            48            49            50 
      1  -0.479343D+01  0.953059D+01 -0.204032D+02 -0.182335D+01 -0.139128D+02
      2   0.149056D+01 -0.802701D+01  0.614646D+01 -0.676996D+01  0.229243D+02
      3   0.330287D+01 -0.150358D+01  0.142567D+02  0.859331D+01 -0.901145D+01
      4   0.108801D+02 -0.183119D+00  0.554739D+01  0.872618D+01 -0.587217D+01
      5  -0.939733D+01  0.589630D+01 -0.139359D+01  0.104422D+02  0.214655D+01
      6   0.445823D+01  0.387130D+01 -0.397684D+01 -0.191843D+01 -0.563442D+01
                51            52            53            54            55 
      1   0.631278D+01  0.357085D+02 -0.246155D+01  0.891768D+01 -0.322605D+02
      2  -0.117057D+02 -0.117473D+02 -0.484409D+00 -0.609808D+01  0.145798D+02
      3   0.539288D+01 -0.239612D+02  0.294596D+01 -0.281961D+01  0.176807D+02
      4   0.941558D+00 -0.267011D+01 -0.208364D+00  0.765762D+01 -0.481202D+01
      5   0.758138D+01  0.365275D+01  0.694956D+01 -0.470559D+01 -0.363773D+01
      6   0.366772D+01  0.114000D+02 -0.331271D+01  0.638719D+01  0.243299D+00
                56            57            58            59            60 
      1  -0.927251D+01 -0.482624D+01 -0.337623D+02 -0.227154D+02  0.217175D+01
      2   0.697379D+01  0.684330D-01  0.246215D+02  0.448090D+01  0.596473D+01
      3   0.229871D+01  0.475781D+01  0.914075D+01  0.182345D+02 -0.813648D+01
      4  -0.269834D+02  0.110288D+01 -0.450652D+02  0.170987D+02 -0.153019D+02
      5   0.877716D+00 -0.126844D+02  0.256332D+00 -0.148110D+02  0.147654D+02
      6   0.158682D+00  0.147494D+01 -0.455362D+00  0.401321D+01 -0.512835D+01
                61            62            63            64            65 
      1  -0.148267D+02  0.153962D+01 -0.891617D+00 -0.870486D+02  0.301048D+02
      2  -0.280249D+01  0.747452D+01  0.716946D+01  0.476654D+02 -0.137209D+02
      3   0.176292D+02 -0.901414D+01 -0.627784D+01  0.393832D+02 -0.163838D+02
      4   0.152971D-01 -0.197918D+02  0.260538D+02  0.286098D+02  0.237690D+02
      5  -0.235523D+02  0.228399D+02  0.379345D+02  0.255388D+02 -0.295618D+01
      6   0.116095D+02 -0.521669D+01 -0.115782D+02  0.108057D+01 -0.288933D+01
                66            67            68            69            70 
      1   0.251103D+02  0.635339D+02  0.221449D+02 -0.827189D+01  0.363390D+02
      2  -0.140257D+02 -0.295176D+02 -0.102117D+02  0.817676D+01 -0.145725D+02
      3  -0.110847D+02 -0.340163D+02 -0.119333D+02  0.951247D-01 -0.217665D+02
      4  -0.166200D+01  0.293861D+02  0.758598D+01  0.235364D+02  0.228995D+01
      5   0.655022D+01 -0.272871D+01  0.246981D+02 -0.203778D+02 -0.184763D+01
      6   0.128929D+01  0.253869D+01  0.668319D+01 -0.369506D+01 -0.302312D+01
                71            72            73            74            75 
      1  -0.423756D+01  0.467042D-01  0.358318D+02 -0.245067D+02 -0.210002D+02
      2   0.808829D+01  0.296855D-01 -0.187962D+02  0.607247D+01  0.109418D+02
      3  -0.385074D+01 -0.763897D-01 -0.170356D+02  0.184342D+02  0.100585D+02
      4   0.215297D+02 -0.156726D+02 -0.230688D+02 -0.319790D+02 -0.554558D+01
      5  -0.158119D+02 -0.324747D+02 -0.125953D+02 -0.767513D+01 -0.171153D+02
      6  -0.455500D+01 -0.490875D+01 -0.151074D+02 -0.886979D+01 -0.967596D-01
                76            77            78            79            80 
      1  -0.320959D+02 -0.285052D+02 -0.105380D+01 -0.240129D+02  0.144535D+01
      2   0.794434D+01  0.189096D+02 -0.114807D+02  0.116572D+02 -0.113539D+02
      3   0.241515D+02  0.959560D+01  0.125345D+02  0.123557D+02  0.990858D+01
      4  -0.420177D+02 -0.103306D+02 -0.381901D+02 -0.225093D+01 -0.278925D+02
      5  -0.886727D+01 -0.447270D+02  0.213368D+02 -0.105153D+02  0.183976D+02
      6  -0.151646D+02 -0.531183D+01 -0.105065D+02  0.186530D+01 -0.911387D+01
                81            82            83            84            85 
      1  -0.947778D+01  0.361718D+02 -0.228610D+02 -0.127112D+02 -0.308694D+02
      2  -0.746109D+00 -0.360679D+02  0.947006D+00  0.652449D+01  0.166589D+01
      3   0.102239D+02 -0.103917D+00  0.219140D+02  0.618667D+01  0.292035D+02
      4   0.162287D+02 -0.187645D+02 -0.382535D+02 -0.139254D+01 -0.394162D+02
      5   0.108392D+02 -0.158086D+02  0.527347D+01 -0.339168D+01  0.333470D+01
      6   0.121082D+02  0.386368D+00  0.398011D+01 -0.226387D+01  0.260227D+01
                86            87            88            89            90 
      1  -0.262384D+02  0.782841D+01 -0.143050D+02  0.191620D+01  0.248548D+01
      2   0.106901D+00 -0.634050D+01  0.151027D+01 -0.695735D+01  0.221073D+02
      3   0.261315D+02 -0.148791D+01  0.127947D+02  0.504115D+01 -0.245928D+02
      4  -0.321003D+02 -0.148420D+02 -0.107003D+02 -0.212592D+02  0.898288D+01
      5  -0.126851D+02  0.198028D+02 -0.271519D+01  0.118193D+02  0.508011D+02
      6  -0.673237D+01  0.103414D+02 -0.119151D+01  0.944264D+01  0.116573D+02
                91            92            93            94            95 
      1   0.718153D+01 -0.311883D+01 -0.119270D+01 -0.131029D+02 -0.144260D+02
      2  -0.779246D+01 -0.293469D+01 -0.950443D+00  0.781692D+01  0.574333D+01
      3   0.610932D+00  0.605352D+01  0.214315D+01  0.528596D+01  0.868267D+01
      4  -0.209197D+02 -0.130255D+02 -0.737267D+01 -0.366601D+02  0.172788D+02
      5  -0.722950D+01 -0.673673D+01 -0.783684D+01 -0.123519D+02 -0.362928D+00
      6  -0.483958D+01 -0.223844D+01 -0.466481D+01 -0.192833D+01 -0.471008D+01
                96            97            98            99           100 
      1  -0.635872D+01 -0.154365D+02 -0.905976D+01 -0.100371D+01 -0.335094D+01
      2   0.315561D+00  0.599478D+00 -0.186107D+01  0.754312D+01 -0.106554D+01
      3   0.604316D+01  0.148370D+02  0.109208D+02 -0.653941D+01  0.441648D+01
      4   0.282551D+00 -0.192984D+02 -0.103127D+02 -0.144318D+02  0.142570D+02
      5  -0.131051D+02 -0.138983D+02 -0.137407D+02  0.305861D+02 -0.153865D+02
      6  -0.224383D+01 -0.738820D+01 -0.245236D+01  0.887909D+01  0.531396D+01
               101           102           103           104           105 
      1   0.581903D+01 -0.667555D+01  0.200735D+02  0.270700D+01  0.106296D+02
      2   0.122328D+01  0.518023D+01 -0.157187D+02  0.481431D+01 -0.302760D+01
      3  -0.704231D+01  0.149532D+01 -0.435483D+01 -0.752131D+01 -0.760199D+01
      4  -0.503439D+01  0.738489D+01 -0.190535D+01 -0.172534D+02 -0.247552D+01
      5   0.673237D+01 -0.255585D+01  0.677031D+01 -0.165007D+01  0.271613D+02
      6  -0.588700D+01  0.600723D+01 -0.146303D+01 -0.242589D+01 -0.174539D+02
               106           107           108           109           110 
      1  -0.232724D+02  0.103018D+02 -0.472907D+01  0.425270D+02 -0.131464D+02
      2   0.642188D+01  0.789010D+01  0.325884D+01 -0.194294D+02  0.331845D+01
      3   0.168505D+02 -0.181919D+02  0.147024D+01 -0.230976D+02  0.982791D+01
      4   0.237071D+02 -0.277227D+02  0.209772D+02 -0.257316D+02  0.223518D+02
      5  -0.200769D+02  0.187351D+02 -0.207331D+02  0.305884D+02 -0.619377D+01
      6   0.118452D+02 -0.188351D+02  0.445855D+01 -0.116905D+02  0.428921D+01
               111           112           113           114           115 
      1   0.235074D+02 -0.155278D+02  0.276597D+01 -0.213079D+01  0.387704D+02
      2  -0.139782D+02  0.232116D+01  0.927457D+01 -0.836931D+00 -0.176527D+02
      3  -0.952914D+01  0.132066D+02 -0.120405D+02  0.296772D+01 -0.211177D+02
      4  -0.105123D+02  0.249576D+02 -0.235965D+02  0.168708D+02 -0.258059D+02
      5   0.216779D+02 -0.124447D+02  0.158661D+02 -0.209586D+02  0.348355D+02
      6  -0.757522D+01  0.621706D+01 -0.117267D+02  0.186059D+02 -0.119414D+02
               116           117           118           119           120 
      1  -0.349508D+01  0.988980D+01 -0.673342D+00 -0.109698D+02 -0.133065D+02
      2  -0.696774D+01 -0.139271D+02 -0.227018D+01  0.127809D+02  0.816766D+01
      3   0.104628D+02  0.403731D+01  0.294352D+01 -0.181108D+01  0.513887D+01
      4   0.366580D+02 -0.190884D+02  0.205046D+00 -0.518471D+01  0.354246D+01
      5  -0.172163D+02  0.559004D+02 -0.834976D+01 -0.126621D+01  0.591023D+01
      6   0.177364D+02 -0.274459D+02  0.401926D+01  0.568896D+01  0.145874D+01
               121           122           123           124           125 
      1  -0.457202D+01 -0.360436D+01 -0.573487D+01 -0.121534D+02 -0.884870D+01
      2   0.137148D+02 -0.200419D+02  0.116977D+01  0.745708D+01  0.617234D+01
      3  -0.914275D+01  0.236463D+02  0.456510D+01  0.469632D+01  0.267637D+01
      4  -0.104521D+02  0.461226D+02 -0.185340D+01  0.118237D+02 -0.133019D+02
      5   0.191212D+01 -0.130183D+01 -0.497064D+01  0.184729D+02 -0.179268D+02
      6   0.307450D+01  0.109931D+01  0.110764D+02 -0.671798D+01  0.216330D+02
               126           127           128           129           130 
      1  -0.104376D+02  0.168117D+00  0.722736D+00  0.307855D+01 -0.224020D+01
      2  -0.698639D+01 -0.537592D+01 -0.150108D+01  0.562309D+01 -0.513585D+00
      3   0.174240D+02  0.520781D+01  0.778348D+00 -0.870164D+01  0.275379D+01
      4  -0.158504D+02  0.164449D+01  0.278433D+01 -0.693137D+00  0.148726D+01
      5  -0.342828D+02 -0.922574D+01 -0.236071D+01  0.117116D+02 -0.231856D+01
      6   0.249361D+02  0.455427D+00 -0.170241D+01 -0.142998D+01 -0.126578D+01
               131           132           133           134           135 
      1  -0.310360D+01  0.718267D+01  0.302225D+01  0.355542D+01 -0.231033D+02
      2  -0.477804D+00  0.309829D+01  0.727786D+01  0.230132D+01 -0.158262D+02
      3   0.358141D+01 -0.102810D+02 -0.103001D+02 -0.585673D+01  0.389295D+02
      4   0.105614D+01 -0.156387D+01 -0.230789D+01 -0.383220D+01  0.228647D+01
      5  -0.264525D+01  0.351260D+01  0.128511D+02  0.398044D+01 -0.200905D+02
      6  -0.261034D+01  0.193837D+01  0.425195D+00  0.574203D+01 -0.787834D+00
               136           137           138           139           140 
      1   0.346988D+01  0.849264D-01 -0.215632D+01  0.400885D+00 -0.208291D+01
      2  -0.544034D+01  0.918257D+00 -0.409925D+01  0.207619D+01 -0.641790D-01
      3   0.197046D+01 -0.100318D+01  0.625557D+01 -0.247707D+01  0.214709D+01
      4  -0.230392D+01  0.382867D+01 -0.981540D+00  0.232782D+01 -0.297666D+01
      5   0.109467D+02 -0.296950D+01  0.966215D+01 -0.461002D+01  0.334964D+01
      6  -0.509717D+00  0.198915D+01 -0.866520D+00  0.715930D+00 -0.306428D+01
               141           142           143           144           145 
      1   0.507815D+01 -0.327070D+01  0.426006D+01 -0.126971D+02 -0.271335D+01
      2   0.240150D+01 -0.536775D+01  0.980459D+00 -0.841070D+01 -0.271158D+01
      3  -0.747964D+01  0.863845D+01 -0.524052D+01  0.211078D+02  0.542493D+01
      4   0.123048D+01 -0.157628D+01  0.311640D+01 -0.200637D+01  0.536913D+01
      5  -0.592860D+01  0.120267D+02 -0.409655D+01  0.150651D+02 -0.893545D+01
      6   0.229156D+01 -0.169759D+01  0.508050D+01 -0.340259D+01 -0.579467D+01
               146           147           148           149           150 
      1  -0.193721D+01  0.585250D+01 -0.248009D+01 -0.521583D+01  0.898421D+01
      2   0.524584D+00  0.288749D+01 -0.427442D+00  0.155201D+01  0.218435D+00
      3   0.141262D+01 -0.873999D+01  0.290753D+01  0.366383D+01 -0.920264D+01
      4   0.379684D+01 -0.552733D+01  0.224381D+01  0.198165D+01 -0.285077D+01
      5  -0.346704D+01  0.116351D+02 -0.310862D+01 -0.250992D+01  0.362714D+01
      6  -0.369411D+01  0.645793D+01 -0.288549D+01 -0.571300D+01  0.935470D+01
               151           152           153           154           155 
      1   0.726727D+01  0.113414D+02 -0.295760D+02  0.327618D+01  0.300893D+01
      2   0.187953D+01 -0.362577D+01 -0.536888D+01 -0.209714D+01 -0.370976D+01
      3  -0.914680D+01 -0.771562D+01  0.349449D+02 -0.117904D+01  0.700833D+00
      4  -0.626132D+01 -0.532291D+01  0.802191D+01 -0.107471D+02  0.871900D+01
      5   0.108698D+02  0.505905D+01 -0.166595D+02  0.156104D+02 -0.586637D+01
      6   0.858273D+01  0.135922D+02 -0.241872D+02 -0.843459D+01  0.652928D+01
               156           157           158           159           160 
      1  -0.152572D+01 -0.153767D+00 -0.442229D+01  0.506949D+01 -0.358339D+01
      2  -0.121747D+01  0.561459D+00  0.305440D+01 -0.502285D+00 -0.142745D+01
      3   0.274320D+01 -0.407692D+00  0.136789D+01 -0.456720D+01  0.501084D+01
      4  -0.817165D+01  0.604628D+01 -0.673571D+01  0.639282D+01 -0.885896D+01
      5   0.136946D+02 -0.803749D+01  0.560288D+01 -0.893600D+01  0.150103D+02
      6  -0.872350D+01  0.598543D+01 -0.709380D+01  0.925367D+01 -0.103181D+02
               161           162           163           164           165 
      1   0.844611D+01 -0.138369D+02  0.871767D+01 -0.233245D+01 -0.809980D+01
      2  -0.509032D+01 -0.123491D+01 -0.745408D+01  0.654006D+00  0.612127D+01
      3  -0.335579D+01  0.150718D+02 -0.126358D+01  0.167844D+01  0.197853D+01
      4   0.817692D+01 -0.105104D+02 -0.560985D+01  0.986667D+01  0.630851D+01
      5  -0.789187D+01  0.195304D+02 -0.147539D+02  0.469798D+01  0.158281D+02
      6   0.125085D+02 -0.182626D+02  0.422230D+01 -0.176298D+01 -0.293019D+01
               166           167           168           169           170 
      1   0.459275D+01  0.826585D+00 -0.290385D+01 -0.163935D+02 -0.470748D+01
      2  -0.344925D+01  0.829574D+00  0.117336D+01  0.142668D+02  0.906879D+00
      3  -0.114350D+01 -0.165616D+01  0.173049D+01  0.212668D+01  0.380060D+01
      4   0.112828D+02 -0.953112D+01 -0.823902D+01  0.128898D+02 -0.153016D+02
      5   0.422399D+01 -0.834858D+01 -0.900314D+01  0.282567D+02 -0.185246D+02
      6  -0.306031D+01  0.613059D+01  0.937784D+01 -0.957050D+01  0.123994D+02
               171           172           173           174           175 
      1  -0.497179D+01  0.200730D+02 -0.990038D+01  0.591830D+01 -0.119178D+02
      2  -0.119164D+02 -0.408759D+01 -0.445123D+00 -0.163586D+01 -0.349286D+01
      3   0.168882D+02 -0.159854D+02  0.103455D+02 -0.428245D+01  0.154106D+02
      4  -0.217859D+02 -0.221282D+02  0.255750D+02 -0.520082D+01  0.329466D+02
      5  -0.498679D+02  0.795071D+01 -0.324019D+01  0.758630D+01 -0.431060D+01
      6   0.195564D+02 -0.248178D+01  0.121198D+00 -0.178127D+01  0.163985D+01
               176           177           178           179           180 
      1   0.308828D+01 -0.381181D+00  0.184175D+02 -0.355127D+00  0.202705D+01
      2   0.185342D+02 -0.413291D+01 -0.476432D+01 -0.712865D+01  0.106323D+00
      3  -0.216225D+02  0.451409D+01 -0.136532D+02  0.748377D+01 -0.213337D+01
      4  -0.466618D+02  0.108741D+02 -0.151488D+02  0.232155D+02 -0.130339D+02
      5   0.970696D+01 -0.909673D+01  0.963385D+01 -0.114122D+02  0.685304D+01
      6  -0.344821D+01  0.556702D+01 -0.400451D+01  0.582953D+01 -0.370676D+01
               181           182           183           184           185 
      1   0.140197D+03 -0.177324D+02 -0.176695D+02 -0.277467D+02  0.133042D+02
      2  -0.714799D+02  0.929336D+01  0.878361D+01  0.136850D+02 -0.479596D+01
      3  -0.687172D+02  0.843902D+01  0.888587D+01  0.140617D+02 -0.850828D+01
      4  -0.140614D+02  0.148581D+02  0.185076D+01  0.173032D+02 -0.882409D+01
      5  -0.212523D+02  0.260130D+01  0.182903D+02  0.286854D+01 -0.634418D+01
      6   0.991053D+00 -0.138892D+01  0.136543D+01 -0.156750D+01  0.798274D-01
               186           187           188           189           190 
      1   0.318028D+01 -0.213969D+02  0.228064D+01  0.163083D+02  0.347387D+02
      2  -0.216838D+01  0.122962D+02 -0.212710D+01 -0.102693D+02 -0.156577D+02
      3  -0.101190D+01  0.910067D+01 -0.153541D+00 -0.603898D+01 -0.190810D+02
      4  -0.588327D+01  0.732005D+00 -0.580252D+01 -0.481370D+00  0.327614D+02
      5  -0.131706D+01  0.234570D+02 -0.785376D+00 -0.552357D+01  0.274730D+02
      6   0.246813D+01 -0.159215D+00  0.271059D+01  0.856858D+00  0.120609D+02
               191           192           193           194           195 
      1   0.202829D+02  0.137351D+02  0.270785D+02  0.156513D+02  0.671327D+01
      2  -0.541100D+01 -0.982441D+01 -0.827036D+01  0.157060D+01 -0.407884D+01
      3  -0.148719D+02 -0.391072D+01 -0.188081D+02 -0.172219D+02 -0.263443D+01
      4   0.313572D+02  0.133873D+02  0.391689D+02  0.456083D+02  0.230390D+02
      5   0.164172D+02  0.225403D+02  0.250603D+02  0.266902D+02  0.224834D+02
      6   0.114176D+02  0.802101D+01  0.147824D+02  0.193525D+02  0.146036D+02
               196           197           198           199           200 
      1   0.828665D+01  0.218315D+01  0.652799D+01  0.112676D+02 -0.613438D+01
      2  -0.674965D+01 -0.198368D+01 -0.604650D+01 -0.889724D+01  0.546958D+01
      3  -0.153700D+01 -0.199463D+00 -0.481485D+00 -0.237034D+01  0.664806D+00
      4   0.982088D+01  0.123007D+02  0.112392D+02 -0.700585D+01  0.131949D+02
      5   0.182925D+02  0.119119D+02  0.147756D+02  0.165977D+02 -0.787616D+01
      6   0.701715D+01  0.100797D+02  0.737765D+01 -0.137421D+01  0.437586D+01
               201           202           203           204           205 
      1   0.118294D+02 -0.134532D+02  0.673293D+01 -0.436240D+01  0.113255D+02
      2  -0.104410D+02  0.115209D+02 -0.820433D+01  0.144474D+02 -0.114470D+02
      3  -0.138838D+01  0.193228D+01  0.147140D+01 -0.100850D+02  0.121421D+00
      4  -0.586897D+01  0.140838D+02 -0.283605D+02  0.219073D+02 -0.571992D+01
      5   0.177283D+02 -0.170135D+02  0.245816D+02 -0.333876D+02  0.190768D+02
      6  -0.184645D+01  0.523298D+01 -0.126080D+02  0.959346D+01 -0.240671D+01
               206           207           208           209           210 
      1  -0.169337D+01  0.225445D+01 -0.453942D+02  0.994121D+01  0.140385D+02
      2   0.946880D+01 -0.172917D+02  0.223170D+02 -0.584164D+01 -0.168810D+01
      3  -0.777543D+01  0.150372D+02  0.230772D+02 -0.409956D+01 -0.123504D+02
      4   0.169433D+02 -0.167821D+02 -0.393782D+01 -0.365734D+01 -0.143485D+01
      5  -0.184142D+02  0.339427D+02 -0.100742D+02 -0.152744D+01 -0.891673D+01
      6   0.100914D+02 -0.751907D+01  0.565883D+01 -0.559693D+01 -0.686013D+01
               211           212           213           214           215 
      1   0.947321D+01 -0.662118D+01 -0.558815D+01  0.112105D+02 -0.316993D+01
      2  -0.432886D+01  0.412956D+01  0.342568D+01 -0.295036D+01  0.162624D+01
      3  -0.514434D+01  0.249162D+01  0.216247D+01 -0.826012D+01  0.154369D+01
      4   0.285417D+01  0.325698D+01  0.564578D+01  0.678681D+00  0.406733D+01
      5   0.807078D+00  0.509153D+01  0.712010D+00  0.283069D+01 -0.105357D+01
      6  -0.165249D+01  0.396271D+01  0.523457D+01 -0.314516D+01  0.434987D+01
               216           217           218           219           220 
      1  -0.901613D+01 -0.419798D+02  0.146770D+02  0.160191D+01  0.106504D+02
      2   0.210851D+00  0.280581D+02 -0.149933D+02 -0.208607D+01 -0.822521D+01
      3   0.880528D+01  0.139217D+02  0.316259D+00  0.484169D+00 -0.242523D+01
      4  -0.108058D+01 -0.127234D+02 -0.506641D+01  0.350337D+01  0.397931D+01
      5   0.420250D+01  0.118378D+02  0.611510D+00 -0.696079D+01 -0.202192D+01
      6   0.229966D+01  0.623191D+00  0.348700D+01 -0.537350D+01  0.107083D+01
               221           222           223           224           225 
      1  -0.976632D+01  0.440813D-01  0.658234D+01 -0.310705D+01 -0.547208D+01
      2   0.121152D+02  0.558102D+00 -0.379707D+01  0.427375D+01  0.898169D-01
      3  -0.234889D+01 -0.602184D+00 -0.278527D+01 -0.116670D+01  0.538227D+01
      4   0.541881D+01  0.323411D+00  0.174702D+01  0.411623D+01 -0.104125D+01
      5   0.204038D+01  0.160782D+00 -0.126225D+01  0.140544D+00 -0.337231D+01
      6  -0.144066D+01  0.126671D+01 -0.227150D+01  0.140031D+01 -0.649151D+00
               226           227           228           229           230 
      1   0.945074D+00  0.259946D+01 -0.777774D+01 -0.127223D+01  0.204279D+00
      2  -0.214220D+01  0.141307D+00  0.615362D+01  0.268334D+01 -0.866406D+00
      3   0.119712D+01 -0.274076D+01  0.162411D+01 -0.141111D+01  0.662127D+00
      4   0.308874D+01  0.639708D+01 -0.228231D+01  0.412880D+01  0.156207D+00
      5  -0.947107D+01 -0.106765D+01  0.127725D+02  0.158324D+01 -0.466913D+01
      6  -0.223020D+01 -0.115624D+01  0.150942D+01 -0.631828D+00  0.207892D+00
               231           232           233           234           235 
      1   0.819786D-01 -0.977202D+01  0.230667D+01 -0.129722D+02  0.270974D+02
      2  -0.460790D+01  0.899189D+01 -0.421314D+01 -0.242724D+02 -0.864190D+00
      3   0.452592D+01  0.780124D+00  0.190647D+01  0.372446D+02 -0.262333D+02
      4  -0.388154D+01 -0.602500D+01 -0.101030D+02  0.473949D+01  0.398505D+02
      5  -0.102855D+02  0.174747D+02  0.430309D+01 -0.676411D+02 -0.387124D+01
      6   0.323652D+01  0.452518D+01  0.843752D+01 -0.243701D+02 -0.302841D+01
               236           237           238           239           240 
      1   0.193615D+02  0.187354D+01  0.195383D+02  0.102901D+02 -0.181030D+00
      2   0.589543D+01  0.301487D+00  0.692445D+01  0.260726D+02  0.116115D+01
      3  -0.252569D+02 -0.217502D+01 -0.264627D+02 -0.363627D+02 -0.980123D+00
      4   0.440353D+02 -0.123318D+01  0.460705D+02  0.657851D+02 -0.123902D+01
      5  -0.511949D+01  0.100962D+02 -0.563811D+01 -0.458318D+01  0.775479D+01
      6  -0.468196D+01  0.562945D+01 -0.468251D+01 -0.790201D+01  0.667807D+01
               241           242           243           244           245 
      1   0.731131D+01  0.204533D+01  0.315343D+01  0.991642D+00  0.336524D+01
      2   0.970135D-01  0.505746D+01 -0.146685D+01 -0.415833D+01 -0.154997D+01
      3  -0.740833D+01 -0.710279D+01 -0.168659D+01  0.316669D+01 -0.181527D+01
      4   0.885734D+01  0.139583D+02  0.670605D+01  0.607855D+01  0.540237D+01
      5   0.692923D+01  0.533675D+01 -0.125074D+01 -0.111211D+02 -0.130293D+01
      6   0.397409D+01  0.441199D+01  0.505269D+00 -0.347838D+01 -0.400878D+00
               246           247           248           249           250 
      1  -0.629645D+01  0.405958D+01 -0.998764D-02  0.215901D+01 -0.899708D+01
      2   0.493995D+01 -0.180851D+01  0.361433D+00 -0.395111D+00  0.892038D+01
      3   0.135650D+01 -0.225107D+01 -0.351445D+00 -0.176390D+01  0.767008D-01
      4  -0.224169D+01  0.927842D+01  0.430387D+01 -0.696421D+01 -0.475598D+01
      5   0.119488D+02 -0.194400D+01 -0.701534D+01  0.876721D+01  0.168372D+02
      6   0.213609D+01 -0.159322D+01 -0.386046D+01  0.705433D+01  0.306301D+01
               251           252           253           254           255 
      1   0.241322D+01 -0.609816D+01 -0.824357D+02 -0.959959D+01  0.909428D+01
      2   0.540026D+00 -0.131087D+02  0.422809D+02  0.134612D+02 -0.573703D+01
      3  -0.295325D+01  0.192069D+02  0.401548D+02 -0.386160D+01 -0.335726D+01
      4  -0.113332D+02  0.930706D+01 -0.161876D+02  0.243347D+02  0.836283D+01
      5   0.797355D+01 -0.399436D+02  0.116779D+02  0.509321D+01  0.996867D+01
      6   0.654173D+01 -0.116886D+02  0.912682D+01  0.375324D+01  0.377557D+01
               256           257           258           259           260 
      1   0.137889D+02  0.345118D+02  0.419792D-01  0.268920D+02  0.610002D+00
      2  -0.587447D+00 -0.361449D+02 -0.432212D+00 -0.996032D+01  0.366342D+01
      3  -0.132014D+02  0.163305D+01  0.390232D+00 -0.169317D+02 -0.427342D+01
      4   0.328374D+02 -0.186108D+02  0.975367D+01  0.187496D+02  0.167088D+02
      5   0.102714D+02  0.128642D+02  0.123080D+02  0.147593D+02  0.104420D+02
      6   0.660377D+01  0.368518D+01  0.651762D+01  0.757817D+01  0.688403D+01
               261           262           263           264           265 
      1   0.121708D+02  0.369122D+01 -0.633751D+01 -0.155041D+01 -0.378474D+01
      2   0.614647D+01  0.357744D+01 -0.345917D+01 -0.318569D+00 -0.826268D+01
      3  -0.183173D+02 -0.726866D+01  0.979668D+01  0.186898D+01  0.120474D+02
      4   0.135639D+02 -0.131016D+02  0.200159D+02  0.445217D+01  0.251969D+02
      5  -0.275146D+02 -0.494703D+01  0.566521D+01  0.400366D+01  0.684562D+01
      6  -0.843246D+01  0.354898D+01 -0.413392D+01 -0.165977D+01 -0.565681D+01
               266           267           268           269           270 
      1  -0.155227D+02 -0.452638D+01  0.332309D+00  0.536520D+00 -0.200668D+01
      2   0.437881D+02  0.650939D+01  0.253712D+01 -0.804666D+01  0.158801D+01
      3  -0.282654D+02 -0.198301D+01 -0.286943D+01  0.751014D+01  0.418670D+00
      4  -0.650629D+02 -0.135561D+02 -0.393033D+01  0.100431D+02 -0.309711D+01
      5  -0.158346D+02 -0.124245D+02  0.177307D+01 -0.294357D+01 -0.317573D+01
      6   0.193505D+02  0.100082D+02 -0.110637D+01  0.409359D+01  0.226119D+01
               271           272           273           274           275 
      1   0.127792D+03  0.120678D+02 -0.465590D+01 -0.517382D+01  0.605217D+01
      2  -0.600064D+02 -0.155333D+01  0.176645D+01  0.526601D+01  0.159781D+00
      3  -0.677852D+02 -0.105145D+02  0.288945D+01 -0.921877D-01 -0.621195D+01
      4   0.463438D+02  0.204884D+02 -0.113562D+00  0.116476D+02  0.572391D+01
      5   0.345196D+01  0.124437D+01  0.137976D+02 -0.720926D+00 -0.164344D+01
      6  -0.119662D+01  0.129691D+01  0.421171D+01  0.558830D-01 -0.497994D-01
               276           277           278           279           280 
      1   0.234733D+00 -0.180708D+02 -0.164559D+01  0.903706D+01  0.103107D+01
      2  -0.259892D+00  0.790839D+01 -0.621535D+00 -0.659383D+01  0.210309D+01
      3   0.251590D-01  0.101624D+02  0.226712D+01 -0.244323D+01 -0.313416D+01
      4  -0.180616D+01 -0.821195D+01 -0.564759D+01  0.241402D+01  0.294091D+01
      5  -0.138106D+01  0.132377D+02  0.601733D+00 -0.816020D+00 -0.221928D+01
      6   0.153507D+00  0.349680D+01  0.897858D+00 -0.276073D+00 -0.995614D+00
               281           282           283           284           285 
      1   0.129569D+02 -0.118783D+01  0.115574D+02 -0.311277D+02 -0.550228D+00
      2  -0.141712D+02  0.918313D+00 -0.434454D+01  0.526965D+02 -0.446468D+00
      3   0.121432D+01  0.269513D+00 -0.721290D+01 -0.215688D+02  0.996696D+00
      4  -0.808391D+01 -0.193903D+01  0.110021D+02  0.527056D+02  0.167433D+00
      5  -0.264290D+00 -0.266826D+01  0.154307D+01 -0.225230D+01  0.644298D+01
      6  -0.137799D+01 -0.233868D+01 -0.198949D-01  0.476715D+01  0.714805D+01
               286           287           288           289           290 
      1  -0.530527D+01  0.160607D+01 -0.514681D+01  0.663738D+01  0.103891D+01
      2   0.160190D+01 -0.491836D+01  0.396437D+01 -0.602848D+01 -0.169974D+01
      3   0.370337D+01  0.331229D+01  0.118244D+01 -0.608899D+00  0.660825D+00
      4  -0.433675D+01 -0.865797D+01  0.341126D+01  0.125523D-01 -0.277576D+01
      5   0.651388D+00  0.442445D+01  0.655162D+00  0.313447D+01 -0.127510D+01
      6  -0.244290D+00  0.645712D+01 -0.366546D+00 -0.121320D+00 -0.138154D+01
               291           292           293           294           295 
      1   0.508756D+01 -0.593483D+01 -0.569526D+01 -0.520968D+00  0.122340D+02
      2  -0.212108D+01  0.264373D+01  0.354934D+01  0.302150D+01 -0.753984D+01
      3  -0.296648D+01  0.329110D+01  0.214592D+01 -0.250054D+01 -0.469420D+01
      4  -0.891757D-01 -0.319860D+01 -0.210046D+01  0.195390D+01  0.704557D+01
      5   0.775482D+00 -0.266750D+01  0.177368D+01 -0.571270D+01  0.111700D+02
      6  -0.860782D+00 -0.759543D+00  0.641329D-01  0.133703D+01  0.238843D+01
               296           297 
      1  -0.101015D+01 -0.110410D+02
      2   0.352701D+01 -0.136020D+02
      3  -0.251685D+01  0.246430D+02
      4   0.108448D+02  0.946201D+00
      5   0.182109D+01  0.444486D+02
      6   0.496692D+01  0.171033D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 22:27:31 2021, MaxMem=  6442450944 cpu:          100490.6 elap:           12574.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.94217 -18.88746 -10.14056 -10.03554 -10.02722
 Alpha  occ. eigenvalues --  -10.02092 -10.01554 -10.01444 -10.01238 -10.01218
 Alpha  occ. eigenvalues --  -10.01177 -10.00690 -10.00371  -9.99208  -9.99182
 Alpha  occ. eigenvalues --   -1.16161  -1.07248  -0.93243  -0.88822  -0.86266
 Alpha  occ. eigenvalues --   -0.81382  -0.80947  -0.75339  -0.74902  -0.74055
 Alpha  occ. eigenvalues --   -0.68377  -0.67615  -0.64303  -0.62726  -0.58544
 Alpha  occ. eigenvalues --   -0.57818  -0.55681  -0.54863  -0.53578  -0.52985
 Alpha  occ. eigenvalues --   -0.51870  -0.50435  -0.50033  -0.49352  -0.48808
 Alpha  occ. eigenvalues --   -0.48184  -0.46519  -0.45047  -0.44822  -0.44207
 Alpha  occ. eigenvalues --   -0.43756  -0.42771  -0.41412  -0.40496  -0.40282
 Alpha  occ. eigenvalues --   -0.40156  -0.39696  -0.38285  -0.35355  -0.33556
 Alpha  occ. eigenvalues --   -0.31710
 Alpha virt. eigenvalues --    0.02496   0.02747   0.03410   0.03820   0.03973
 Alpha virt. eigenvalues --    0.04061   0.04570   0.04675   0.05109   0.05750
 Alpha virt. eigenvalues --    0.06130   0.06544   0.06987   0.07006   0.07244
 Alpha virt. eigenvalues --    0.07630   0.08414   0.09029   0.09335   0.09532
 Alpha virt. eigenvalues --    0.10336   0.10439   0.11119   0.11639   0.11925
 Alpha virt. eigenvalues --    0.12156   0.12474   0.13177   0.13372   0.13603
 Alpha virt. eigenvalues --    0.14098   0.14289   0.14450   0.14845   0.15388
 Alpha virt. eigenvalues --    0.15498   0.15537   0.16164   0.16322   0.16423
 Alpha virt. eigenvalues --    0.16807   0.17622   0.17877   0.18074   0.18182
 Alpha virt. eigenvalues --    0.18741   0.19033   0.19568   0.19961   0.20052
 Alpha virt. eigenvalues --    0.20289   0.20812   0.21023   0.21298   0.21552
 Alpha virt. eigenvalues --    0.21676   0.22238   0.22343   0.22980   0.23093
 Alpha virt. eigenvalues --    0.23492   0.23900   0.24283   0.24967   0.25385
 Alpha virt. eigenvalues --    0.26035   0.26168   0.26200   0.26734   0.27404
 Alpha virt. eigenvalues --    0.27750   0.27785   0.28165   0.28609   0.28688
 Alpha virt. eigenvalues --    0.29056   0.29545   0.29745   0.30059   0.30210
 Alpha virt. eigenvalues --    0.30406   0.31050   0.31481   0.31949   0.32356
 Alpha virt. eigenvalues --    0.32502   0.32925   0.33754   0.33910   0.34097
 Alpha virt. eigenvalues --    0.34678   0.35022   0.35561   0.35768   0.36219
 Alpha virt. eigenvalues --    0.36547   0.36944   0.37280   0.37718   0.38431
 Alpha virt. eigenvalues --    0.38701   0.38947   0.39490   0.40062   0.40580
 Alpha virt. eigenvalues --    0.41098   0.41536   0.41981   0.42155   0.42391
 Alpha virt. eigenvalues --    0.43086   0.43293   0.43437   0.43664   0.44314
 Alpha virt. eigenvalues --    0.44568   0.45167   0.45414   0.45705   0.45963
 Alpha virt. eigenvalues --    0.46488   0.46742   0.46936   0.48168   0.48444
 Alpha virt. eigenvalues --    0.48954   0.49038   0.49923   0.50197   0.50308
 Alpha virt. eigenvalues --    0.50897   0.51674   0.52214   0.52460   0.52842
 Alpha virt. eigenvalues --    0.53535   0.53807   0.54785   0.54989   0.55371
 Alpha virt. eigenvalues --    0.55686   0.55935   0.56618   0.57088   0.57613
 Alpha virt. eigenvalues --    0.57989   0.58703   0.59011   0.59330   0.59454
 Alpha virt. eigenvalues --    0.60275   0.60993   0.61633   0.61764   0.62278
 Alpha virt. eigenvalues --    0.62899   0.63145   0.63393   0.63745   0.64132
 Alpha virt. eigenvalues --    0.64785   0.64861   0.65269   0.65532   0.66168
 Alpha virt. eigenvalues --    0.66688   0.66920   0.67346   0.67997   0.68112
 Alpha virt. eigenvalues --    0.68531   0.68982   0.69277   0.69877   0.70050
 Alpha virt. eigenvalues --    0.70587   0.71010   0.71540   0.71604   0.72154
 Alpha virt. eigenvalues --    0.72452   0.72851   0.73296   0.73514   0.74057
 Alpha virt. eigenvalues --    0.74313   0.75185   0.75359   0.76013   0.76293
 Alpha virt. eigenvalues --    0.77284   0.77504   0.77975   0.78137   0.79330
 Alpha virt. eigenvalues --    0.79922   0.80268   0.80542   0.81206   0.81497
 Alpha virt. eigenvalues --    0.82216   0.82377   0.82605   0.83630   0.84143
 Alpha virt. eigenvalues --    0.84524   0.84808   0.85230   0.85266   0.86245
 Alpha virt. eigenvalues --    0.87002   0.87093   0.88218   0.88282   0.89622
 Alpha virt. eigenvalues --    0.90461   0.90846   0.91157   0.91526   0.92493
 Alpha virt. eigenvalues --    0.93435   0.93796   0.94434   0.94767   0.95545
 Alpha virt. eigenvalues --    0.95929   0.96697   0.97155   0.99139   0.99958
 Alpha virt. eigenvalues --    1.00684   1.01335   1.02077   1.02535   1.02702
 Alpha virt. eigenvalues --    1.04151   1.04830   1.05552   1.07007   1.07525
 Alpha virt. eigenvalues --    1.08344   1.08905   1.09531   1.11477   1.12285
 Alpha virt. eigenvalues --    1.12626   1.13484   1.14356   1.15038   1.15467
 Alpha virt. eigenvalues --    1.15936   1.16676   1.17013   1.18222   1.19737
 Alpha virt. eigenvalues --    1.20611   1.22048   1.22433   1.23150   1.24758
 Alpha virt. eigenvalues --    1.25028   1.25589   1.26136   1.28069   1.28237
 Alpha virt. eigenvalues --    1.29538   1.31192   1.32058   1.35173   1.36126
 Alpha virt. eigenvalues --    1.37926   1.38726   1.38900   1.39819   1.41992
 Alpha virt. eigenvalues --    1.42729   1.43796   1.43963   1.44912   1.45997
 Alpha virt. eigenvalues --    1.47426   1.47880   1.48734   1.50455   1.50806
 Alpha virt. eigenvalues --    1.52207   1.53966   1.54132   1.54509   1.55347
 Alpha virt. eigenvalues --    1.55395   1.56924   1.57018   1.57744   1.58850
 Alpha virt. eigenvalues --    1.59911   1.60840   1.61615   1.62199   1.62888
 Alpha virt. eigenvalues --    1.64337   1.65043   1.65912   1.66609   1.67059
 Alpha virt. eigenvalues --    1.67932   1.69929   1.70859   1.71508   1.72211
 Alpha virt. eigenvalues --    1.72747   1.73755   1.74562   1.75331   1.75921
 Alpha virt. eigenvalues --    1.76702   1.77603   1.78437   1.79059   1.79368
 Alpha virt. eigenvalues --    1.80122   1.82052   1.82971   1.83156   1.84232
 Alpha virt. eigenvalues --    1.85054   1.86532   1.87013   1.87312   1.88119
 Alpha virt. eigenvalues --    1.88706   1.89293   1.91014   1.91133   1.92128
 Alpha virt. eigenvalues --    1.93428   1.94159   1.94759   1.95343   1.95729
 Alpha virt. eigenvalues --    1.96182   1.96877   1.97220   1.98326   1.98733
 Alpha virt. eigenvalues --    1.99861   2.01566   2.01979   2.02563   2.03901
 Alpha virt. eigenvalues --    2.04909   2.05929   2.06615   2.07725   2.08569
 Alpha virt. eigenvalues --    2.09937   2.10580   2.11636   2.12309   2.12650
 Alpha virt. eigenvalues --    2.14845   2.15256   2.15722   2.17551   2.18351
 Alpha virt. eigenvalues --    2.18658   2.19729   2.20777   2.21319   2.21543
 Alpha virt. eigenvalues --    2.22792   2.24072   2.24398   2.25281   2.26590
 Alpha virt. eigenvalues --    2.26701   2.28449   2.29223   2.31024   2.32800
 Alpha virt. eigenvalues --    2.34189   2.34697   2.35290   2.35590   2.35745
 Alpha virt. eigenvalues --    2.36384   2.36558   2.37679   2.38632   2.40717
 Alpha virt. eigenvalues --    2.42457   2.43585   2.45181   2.48901   2.50592
 Alpha virt. eigenvalues --    2.51330   2.52710   2.52975   2.54518   2.56705
 Alpha virt. eigenvalues --    2.56989   2.57636   2.58943   2.60313   2.62734
 Alpha virt. eigenvalues --    2.65684   2.66583   2.67478   2.68279   2.71556
 Alpha virt. eigenvalues --    2.73569   2.73936   2.75484   2.77755   2.78218
 Alpha virt. eigenvalues --    2.81017   2.83403   2.84475   2.85728   2.87047
 Alpha virt. eigenvalues --    2.90071   2.91194   2.93201   2.94915   2.97797
 Alpha virt. eigenvalues --    2.98422   3.06931   3.11184   3.12941   3.14703
 Alpha virt. eigenvalues --    3.22981   3.27158   3.28127   3.36304   3.38654
 Alpha virt. eigenvalues --    3.40260   3.45599   3.46359   3.49147   3.50725
 Alpha virt. eigenvalues --    3.53980   3.56105   3.67905   3.69462   3.73805
 Alpha virt. eigenvalues --    3.75631   3.86052   3.93637   4.04523   4.84054
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   30.516232  -7.130756  -4.755917  -2.339719   1.639023  -9.682150
     2  C   -7.130756  24.397429  -1.406692  -3.600191  -3.435371  -3.035740
     3  C   -4.755917  -1.406692  32.228891  -6.239539 -11.249523   1.039548
     4  C   -2.339719  -3.600191  -6.239539  28.484476  -4.113731  -3.469196
     5  C    1.639023  -3.435371 -11.249523  -4.113731  25.591373  -1.063917
     6  C   -9.682150  -3.035740   1.039548  -3.469196  -1.063917  23.829199
     7  C   -0.145505  -2.511343  -0.225360  -0.415030  -0.926214   0.300445
     8  C    0.032382   0.354990   0.178497  -0.038259   0.243523  -0.187190
     9  C   -0.159645  -0.426603   0.053706   0.013698  -0.191641   0.201575
    10  C    0.047835  -0.045068  -0.202491  -0.001943   0.024728  -0.192781
    11  C    0.226802  -0.089640   0.036607  -5.974883   0.573638  -0.552242
    12  C    0.061048   0.082953  -0.928281   0.933939  -0.304182  -0.248913
    13  O   -0.060918  -0.003972   0.156106  -0.110893   0.005682   0.016304
    14  O   -0.042743   0.002164   0.066183  -0.030015   0.020239   0.037260
    15  H   -4.013757   2.622331   0.453453  -1.024638  -0.316796   1.138608
    16  H    0.931449  -0.788977  -4.317416   1.921743   0.994313  -0.332297
    17  H   -0.584273   0.254762   0.688752   0.627662  -2.515990   0.536743
    18  H    0.497182   0.535381  -0.472624   0.417741   0.512485  -2.291685
    19  H    0.876712  -0.459355   0.471806   0.139375  -0.337410  -0.576088
    20  H   -0.619459  -0.354477  -0.189405   0.006711   0.543153   0.532265
    21  H   -0.066413   0.024266  -0.003336   0.007192   0.023644   0.051226
    22  H    0.046430  -0.020315  -0.006914  -0.008600   0.005766  -0.077383
    23  H    0.005768   0.033720   0.003309  -0.001694   0.076011   0.067535
    24  H   -0.060067   0.106023   0.041778   0.047271  -0.166174   0.095220
    25  H    0.067288   0.133990  -0.149007   0.027973   0.034917  -0.070447
    26  H    0.160214  -0.039217   0.112814   0.032554  -0.010660  -0.030984
    27  H   -0.111628  -0.004452   0.009386  -0.025240   0.007034   0.038495
    28  H   -0.043567  -0.011039  -0.103051   0.796435  -0.189007  -0.042678
    29  C    0.036484  -0.075434  -0.327388  -0.702215   0.280765  -0.137908
    30  H    0.006753   0.002035  -0.018494   0.033000  -0.009786  -0.007681
    31  H   -0.007552   0.042265   0.075391   0.961354  -0.259700  -0.008754
    32  H   -0.023775  -0.024734   0.098485  -0.745326   0.184380   0.029306
    33  H   -0.019544  -0.030992  -0.202364  -0.111084   0.119819  -0.022001
               7          8          9         10         11         12
     1  C   -0.145505   0.032382  -0.159645   0.047835   0.226802   0.061048
     2  C   -2.511343   0.354990  -0.426603  -0.045068  -0.089640   0.082953
     3  C   -0.225360   0.178497   0.053706  -0.202491   0.036607  -0.928281
     4  C   -0.415030  -0.038259   0.013698  -0.001943  -5.974883   0.933939
     5  C   -0.926214   0.243523  -0.191641   0.024728   0.573638  -0.304182
     6  C    0.300445  -0.187190   0.201575  -0.192781  -0.552242  -0.248913
     7  C   11.144702  -1.061224   0.414099   0.216112  -0.369983  -0.007651
     8  C   -1.061224   8.499512  -0.403857  -0.383723   0.039921  -0.001164
     9  C    0.414099  -0.403857   5.252298  -0.321782  -0.040482   0.004208
    10  C    0.216112  -0.383723  -0.321782   5.213620   0.002053  -0.003538
    11  C   -0.369983   0.039921  -0.040482   0.002053  15.841516  -2.878980
    12  C   -0.007651  -0.001164   0.004208  -0.003538  -2.878980   8.724403
    13  O   -0.001649   0.000223  -0.000065  -0.000185   0.188781  -0.184644
    14  O    0.000061   0.000694  -0.000313   0.000302   0.146703  -0.363153
    15  H   -0.353388   0.034302   0.001667   0.002345   0.022403   0.007038
    16  H    0.185200  -0.023517   0.004219   0.019777  -0.274391   0.173311
    17  H    0.204817  -0.030081   0.028130   0.000229  -0.224950  -0.041471
    18  H   -0.653654   0.072538  -0.087873   0.016786   0.166699   0.004352
    19  H   -0.509459   0.118816   0.020461  -0.033344  -0.004411  -0.002086
    20  H   -0.330505   0.128107  -0.005684   0.024856  -0.009069   0.000966
    21  H    0.044594  -1.206681   0.112739   0.138114   0.002699  -0.000138
    22  H    0.093684   0.032634   0.088157   0.110252  -0.003494   0.001145
    23  H   -0.201009   0.298542  -0.180562  -0.006787   0.001488  -0.000106
    24  H   -0.183466  -0.041564   0.501775  -0.234452  -0.000123  -0.001130
    25  H   -0.191948  -0.048591  -0.233462   0.525874   0.005743  -0.000003
    26  H   -0.211663   0.298301  -0.009422  -0.217140  -0.003204   0.001671
    27  H    0.099628   0.021179   0.124640   0.098692   0.001462  -0.000868
    28  H   -0.011897   0.002233  -0.001683  -0.000223  -1.571310   0.188579
    29  C   -0.061826   0.001883  -0.001615  -0.002315   0.512165   0.031749
    30  H    0.000030  -0.000041  -0.000060   0.000054   0.021945  -0.058480
    31  H    0.002297  -0.000236   0.000123  -0.000070  -0.567750   0.042292
    32  H   -0.011210   0.000737  -0.000550  -0.000134   0.691414  -0.132850
    33  H   -0.010852   0.000786  -0.000287  -0.000533  -0.287716   0.057633
              13         14         15         16         17         18
     1  C   -0.060918  -0.042743  -4.013757   0.931449  -0.584273   0.497182
     2  C   -0.003972   0.002164   2.622331  -0.788977   0.254762   0.535381
     3  C    0.156106   0.066183   0.453453  -4.317416   0.688752  -0.472624
     4  C   -0.110893  -0.030015  -1.024638   1.921743   0.627662   0.417741
     5  C    0.005682   0.020239  -0.316796   0.994313  -2.515990   0.512485
     6  C    0.016304   0.037260   1.138608  -0.332297   0.536743  -2.291685
     7  C   -0.001649   0.000061  -0.353388   0.185200   0.204817  -0.653654
     8  C    0.000223   0.000694   0.034302  -0.023517  -0.030081   0.072538
     9  C   -0.000065  -0.000313   0.001667   0.004219   0.028130  -0.087873
    10  C   -0.000185   0.000302   0.002345   0.019777   0.000229   0.016786
    11  C    0.188781   0.146703   0.022403  -0.274391  -0.224950   0.166699
    12  C   -0.184644  -0.363153   0.007038   0.173311  -0.041471   0.004352
    13  O    8.499861   0.012356  -0.001693  -0.040090   0.004873  -0.000102
    14  O    0.012356   8.379230  -0.001121  -0.014170   0.015760  -0.000582
    15  H   -0.001693  -0.001121   4.126022  -0.489853  -0.027741   0.019278
    16  H   -0.040090  -0.014170  -0.489853   4.311332   0.008499  -0.026686
    17  H    0.004873   0.015760  -0.027741   0.008499   3.710498  -0.464852
    18  H   -0.000102  -0.000582   0.019278  -0.026686  -0.464852   3.848969
    19  H    0.000001   0.000035  -0.086269   0.003696  -0.001021   0.019734
    20  H   -0.000019  -0.000051   0.015679   0.001537   0.016139  -0.092017
    21  H    0.000006   0.000026   0.014965  -0.001928  -0.003283   0.020996
    22  H   -0.000024  -0.000117   0.001511  -0.000800   0.000663   0.011427
    23  H   -0.000000   0.000078  -0.008738   0.001853   0.006159  -0.033783
    24  H   -0.000037   0.000261   0.015703  -0.001507  -0.001776  -0.021968
    25  H   -0.000029  -0.000796  -0.023060  -0.001259  -0.003070   0.017718
    26  H    0.000031   0.000020  -0.012867  -0.000530   0.001425  -0.006134
    27  H   -0.000021   0.000094   0.010961   0.001343  -0.000693   0.000889
    28  H   -0.003174  -0.047390   0.006267  -0.029586  -0.211690   0.013284
    29  C   -0.004841   0.003388   0.005148  -0.022284  -0.000395   0.009124
    30  H   -0.040463   0.259893  -0.000112   0.002424  -0.000635  -0.000056
    31  H   -0.001847   0.002220  -0.000202   0.006432  -0.000889   0.001109
    32  H    0.019782   0.008052  -0.003372   0.018468  -0.006727   0.001314
    33  H    0.010521  -0.011586   0.000199  -0.090414   0.007919  -0.000590
              19         20         21         22         23         24
     1  C    0.876712  -0.619459  -0.066413   0.046430   0.005768  -0.060067
     2  C   -0.459355  -0.354477   0.024266  -0.020315   0.033720   0.106023
     3  C    0.471806  -0.189405  -0.003336  -0.006914   0.003309   0.041778
     4  C    0.139375   0.006711   0.007192  -0.008600  -0.001694   0.047271
     5  C   -0.337410   0.543153   0.023644   0.005766   0.076011  -0.166174
     6  C   -0.576088   0.532265   0.051226  -0.077383   0.067535   0.095220
     7  C   -0.509459  -0.330505   0.044594   0.093684  -0.201009  -0.183466
     8  C    0.118816   0.128107  -1.206681   0.032634   0.298542  -0.041564
     9  C    0.020461  -0.005684   0.112739   0.088157  -0.180562   0.501775
    10  C   -0.033344   0.024856   0.138114   0.110252  -0.006787  -0.234452
    11  C   -0.004411  -0.009069   0.002699  -0.003494   0.001488  -0.000123
    12  C   -0.002086   0.000966  -0.000138   0.001145  -0.000106  -0.001130
    13  O    0.000001  -0.000019   0.000006  -0.000024  -0.000000  -0.000037
    14  O    0.000035  -0.000051   0.000026  -0.000117   0.000078   0.000261
    15  H   -0.086269   0.015679   0.014965   0.001511  -0.008738   0.015703
    16  H    0.003696   0.001537  -0.001928  -0.000800   0.001853  -0.001507
    17  H   -0.001021   0.016139  -0.003283   0.000663   0.006159  -0.001776
    18  H    0.019734  -0.092017   0.020996   0.011427  -0.033783  -0.021968
    19  H    2.464110  -0.630737  -0.019451  -0.016623   0.025819   0.017409
    20  H   -0.630737   2.434367  -0.022953   0.023401  -0.005581  -0.021557
    21  H   -0.019451  -0.022953   2.493814  -0.067565  -0.093523   0.111597
    22  H   -0.016623   0.023401  -0.067565   2.193042  -0.533415  -0.568101
    23  H    0.025819  -0.005581  -0.093523  -0.533415   2.063560  -0.307943
    24  H    0.017409  -0.021557   0.111597  -0.568101  -0.307943   1.822540
    25  H   -0.021107   0.018626   0.112423  -0.000778  -0.004393  -0.017070
    26  H   -0.013093   0.027466  -0.089990   0.031245  -0.015215  -0.003664
    27  H    0.024866  -0.016955  -0.068929  -0.040109   0.032993  -0.003913
    28  H    0.000104  -0.001706   0.000326   0.000011  -0.000614   0.000516
    29  C   -0.001461  -0.002004   0.000082  -0.000213   0.000485   0.000256
    30  H   -0.000032   0.000056  -0.000015  -0.000002   0.000013  -0.000142
    31  H    0.000179   0.000064  -0.000002   0.000009   0.000017  -0.000000
    32  H   -0.000567   0.000053   0.000044  -0.000055   0.000074   0.000050
    33  H   -0.000156  -0.000290  -0.000018  -0.000007   0.000069  -0.000069
              25         26         27         28         29         30
     1  C    0.067288   0.160214  -0.111628  -0.043567   0.036484   0.006753
     2  C    0.133990  -0.039217  -0.004452  -0.011039  -0.075434   0.002035
     3  C   -0.149007   0.112814   0.009386  -0.103051  -0.327388  -0.018494
     4  C    0.027973   0.032554  -0.025240   0.796435  -0.702215   0.033000
     5  C    0.034917  -0.010660   0.007034  -0.189007   0.280765  -0.009786
     6  C   -0.070447  -0.030984   0.038495  -0.042678  -0.137908  -0.007681
     7  C   -0.191948  -0.211663   0.099628  -0.011897  -0.061826   0.000030
     8  C   -0.048591   0.298301   0.021179   0.002233   0.001883  -0.000041
     9  C   -0.233462  -0.009422   0.124640  -0.001683  -0.001615  -0.000060
    10  C    0.525874  -0.217140   0.098692  -0.000223  -0.002315   0.000054
    11  C    0.005743  -0.003204   0.001462  -1.571310   0.512165   0.021945
    12  C   -0.000003   0.001671  -0.000868   0.188579   0.031749  -0.058480
    13  O   -0.000029   0.000031  -0.000021  -0.003174  -0.004841  -0.040463
    14  O   -0.000796   0.000020   0.000094  -0.047390   0.003388   0.259893
    15  H   -0.023060  -0.012867   0.010961   0.006267   0.005148  -0.000112
    16  H   -0.001259  -0.000530   0.001343  -0.029586  -0.022284   0.002424
    17  H   -0.003070   0.001425  -0.000693  -0.211690  -0.000395  -0.000635
    18  H    0.017718  -0.006134   0.000889   0.013284   0.009124  -0.000056
    19  H   -0.021107  -0.013093   0.024866   0.000104  -0.001461  -0.000032
    20  H    0.018626   0.027466  -0.016955  -0.001706  -0.002004   0.000056
    21  H    0.112423  -0.089990  -0.068929   0.000326   0.000082  -0.000015
    22  H   -0.000778   0.031245  -0.040109   0.000011  -0.000213  -0.000002
    23  H   -0.004393  -0.015215   0.032993  -0.000614   0.000485   0.000013
    24  H   -0.017070  -0.003664  -0.003913   0.000516   0.000256  -0.000142
    25  H    1.814325  -0.302523  -0.566068   0.000760   0.001652   0.000071
    26  H   -0.302523   2.056306  -0.531931  -0.000321   0.000236   0.000053
    27  H   -0.566068  -0.531931   2.198412   0.000126  -0.000269  -0.000019
    28  H    0.000760  -0.000321   0.000126   2.697016   0.077176   0.008991
    29  C    0.001652   0.000236  -0.000269   0.077176   4.886460   0.009707
    30  H    0.000071   0.000053  -0.000019   0.008991   0.009707   0.614328
    31  H    0.000173   0.000024  -0.000016   0.013889  -0.240298   0.000545
    32  H   -0.000293   0.000090  -0.000017  -0.018894   0.064973  -0.000856
    33  H    0.000567  -0.000016  -0.000050   0.081333   0.607543   0.003008
              31         32         33
     1  C   -0.007552  -0.023775  -0.019544
     2  C    0.042265  -0.024734  -0.030992
     3  C    0.075391   0.098485  -0.202364
     4  C    0.961354  -0.745326  -0.111084
     5  C   -0.259700   0.184380   0.119819
     6  C   -0.008754   0.029306  -0.022001
     7  C    0.002297  -0.011210  -0.010852
     8  C   -0.000236   0.000737   0.000786
     9  C    0.000123  -0.000550  -0.000287
    10  C   -0.000070  -0.000134  -0.000533
    11  C   -0.567750   0.691414  -0.287716
    12  C    0.042292  -0.132850   0.057633
    13  O   -0.001847   0.019782   0.010521
    14  O    0.002220   0.008052  -0.011586
    15  H   -0.000202  -0.003372   0.000199
    16  H    0.006432   0.018468  -0.090414
    17  H   -0.000889  -0.006727   0.007919
    18  H    0.001109   0.001314  -0.000590
    19  H    0.000179  -0.000567  -0.000156
    20  H    0.000064   0.000053  -0.000290
    21  H   -0.000002   0.000044  -0.000018
    22  H    0.000009  -0.000055  -0.000007
    23  H    0.000017   0.000074   0.000069
    24  H   -0.000000   0.000050  -0.000069
    25  H    0.000173  -0.000293   0.000567
    26  H    0.000024   0.000090  -0.000016
    27  H   -0.000016  -0.000017  -0.000050
    28  H    0.013889  -0.018894   0.081333
    29  C   -0.240298   0.064973   0.607543
    30  H    0.000545  -0.000856   0.003008
    31  H    1.932313  -0.384676  -0.350959
    32  H   -0.384676   1.775476  -0.342424
    33  H   -0.350959  -0.342424   1.763236
 Mulliken charges:
               1
     1  C    0.715787
     2  C    0.902057
     3  C    1.083091
     4  C    0.501071
     5  C    0.209611
     6  C    0.116309
     7  C    1.689169
     8  C   -0.933671
     9  C    1.244090
    10  C    1.204882
    11  C    0.370591
    12  C    0.842351
    13  O   -0.459860
    14  O   -0.442982
    15  H   -1.134274
    16  H   -1.129890
    17  H   -0.993492
    18  H   -1.034402
    19  H   -0.470451
    20  H   -0.470976
    21  H   -0.514529
    22  H   -0.294862
    23  H   -0.224131
    24  H   -0.125675
    25  H   -0.128195
    26  H   -0.223876
    27  H   -0.299020
    28  H   -0.599217
    29  C    1.051188
    30  H    0.173968
    31  H   -0.257742
    32  H   -0.196239
    33  H   -0.170683
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.418487
     2  C    0.902057
     3  C   -0.046799
     4  C    0.501071
     5  C   -0.783881
     6  C   -0.918093
     7  C    0.747742
     8  C   -1.448200
     9  C    0.599422
    10  C    0.553791
    11  C   -0.228626
    12  C    0.842351
    13  O   -0.459860
    14  O   -0.269014
    29  C    0.426525
 Electronic spatial extent (au):  <R**2>=           4246.9782
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.1910    Y=             -0.4518    Z=              1.2004  Tot=              1.7503
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.0163   YY=            -90.0816   ZZ=            -92.0571
   XY=              1.2581   XZ=             -6.1573   YZ=              0.8413
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7020   YY=              0.6367   ZZ=             -1.3387
   XY=              1.2581   XZ=             -6.1573   YZ=              0.8413
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.7857  YYY=             34.5979  ZZZ=             -2.2554  XYY=            -20.1584
  XXY=             -6.0311  XXZ=             23.1944  XZZ=              0.6424  YZZ=             -3.0464
  YYZ=             14.8979  XYZ=            -11.9872
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -4355.7710 YYYY=           -735.5386 ZZZZ=           -618.7513 XXXY=             -1.3781
 XXXZ=            -99.5300 YYYX=            -94.1053 YYYZ=             32.5964 ZZZX=            -13.5834
 ZZZY=             -9.6384 XXYY=           -807.5972 XXZZ=           -858.4481 YYZZ=           -237.7999
 XXYZ=             46.2380 YYXZ=            -30.0569 ZZXY=             -7.0802
 N-N= 9.843576103471D+02 E-N=-3.494627941271D+03  KE= 6.517166214592D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 22:27:32 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.71324582D-01-1.77070808D-01 4.73123682D-01
 Polarizability= 1.99037106D+02-5.54040444D-01 1.30507314D+02
                 1.66351006D+00-7.44604290D+00 1.45233610D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.8856   -0.8865       -0.4755   -0.4759
 2      0.8856    0.8865        3.7345    3.7346      -37.3128  -37.3125
 3      0.4754    0.4759       29.8591   29.8596       -3.7343   -3.7346
 4     -3.7345   -3.7346        0.0000    0.0000        0.4755    0.4759
 5      7.4537    7.4529       -0.4755   -0.4759       -0.8866   -0.8865
 6      3.7343    3.7346        0.8866    0.8865       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.6594    2.6594       -1.4277   -1.4277
 2    -11.2039  -11.2039       -0.0000    0.0000       -1.4277   -1.4277
 3    -11.2039  -11.2039        2.6594    2.6594        0.0000    0.0000
 4      2.6594    2.6594       11.2039   11.2039     -111.9374 -111.9374
 5      1.4277    1.4277       89.5788   89.5788      -11.2039  -11.2039
 6     22.3586   22.3586       -1.4277   -1.4277       -2.6594   -2.6594
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0609    0.0000        3.6872    3.5458        1.9648    1.9036
 2     -3.6136   -3.5458      -14.9469  -14.9385      149.1487  149.2499
 3     -1.8365   -1.9036     -119.3199 -119.4384       14.9809   14.9385
 4     15.0335   14.9385       -0.0084    0.0000       -1.8801   -1.9036
 5    -29.8501  -29.8115        1.8067    1.9036        3.5467    3.5458
 6    -14.9616  -14.9385       -3.5653   -3.5458       -0.0187    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0395    0.0000      -97.4175  -97.6406        5.6597    5.5823
 2     97.6905   97.6406       17.9789   17.8344       -1.8553   -1.9851
 3     -5.5802   -5.5823       53.7852   53.7371      -17.7882  -17.8344
 4    -17.8627  -17.8344       -0.0213    0.0000       -5.5946   -5.5823
 5    -51.6375  -51.7520        5.6520    5.5823      -97.6132  -97.6406
 6     17.8243   17.8344       97.6563   97.6406       -0.0196    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -23.7166  -23.6629        0.6525    0.8432      -49.7355  -49.6650
 2    -46.3588  -46.3413      -75.2640  -75.1174      -49.7490  -49.6650
 3    -46.3595  -46.3413        0.6495    0.8432      -62.7091  -62.6224
 4     75.9436   75.9607       22.6012   22.6784       25.6338   25.6029
 5    -12.9867  -12.9574       69.5606   69.5503      -22.7285  -22.6784
 6    -95.0158  -95.1532       13.0509   12.9574      -75.8529  -75.9607
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0004    0.0003    0.0004    1.5729    3.1172    7.0147
 Low frequencies ---   24.6721   37.4950   48.0329
 Diagonal vibrational polarizability:
       44.6508982      20.9538794       8.6318248
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.6624                37.4898                48.0326
 Red. masses --      3.8552                 6.7236                 4.0746
 Frc consts  --      0.0014                 0.0056                 0.0055
 IR Inten    --      0.2284                 1.1648                 0.6317
 RamAct Fr= 1--      0.6072                 1.2844                 0.7505
  Dep-P Fr= 1--      0.7470                 0.7001                 0.7303
  Dep-U Fr= 1--      0.8552                 0.8236                 0.8441
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0003
 Beta2  Fr= 1--      0.0865                 0.1763                 0.1056
 AlphaG Fr= 1--      0.0000                 0.0059                -0.0010
 Gamma2 Fr= 1--     -0.1909                 0.2166                -0.7348
 Delta2 Fr= 1--     -0.3977                 0.5408                -0.6141
 Raman1 Fr= 1--       2.429                  5.138                  3.002
 ROA1   Fr= 1--     -31.051                 38.100                -90.192
 CID1   Fr= 1--     -12.785                  7.416                -30.045
 Raman2 Fr= 1--       1.039                  2.116                  1.267
 ROA2   Fr= 1--      -1.400                  0.872                -12.722
 CID2   Fr= 1--      -1.348                  0.412                -10.041
 Raman3 Fr= 1--       2.077                  4.231                  2.534
 ROA3   Fr= 1--     -31.051                 38.100                -90.192
 CID3   Fr= 1--     -14.950                  9.004                -35.593
 RC180  Fr= 1--       0.710                  0.647                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09   0.01    -0.01  -0.08  -0.03    -0.02  -0.14  -0.07
     2   6     0.00  -0.03   0.05    -0.00  -0.04  -0.01     0.00  -0.04  -0.04
     3   6     0.02  -0.10  -0.03    -0.01  -0.10  -0.04    -0.02  -0.15  -0.06
     4   6    -0.01  -0.05  -0.03    -0.01  -0.07  -0.03     0.01  -0.04  -0.01
     5   6    -0.03   0.00   0.01    -0.01  -0.06  -0.02     0.03   0.05   0.01
     6   6    -0.02   0.01   0.05    -0.01  -0.04  -0.02     0.03   0.05   0.00
     7   6     0.01  -0.02   0.09     0.00   0.04   0.02     0.00   0.03  -0.05
     8   6    -0.03   0.03  -0.00    -0.08   0.08   0.05    -0.06   0.06  -0.01
     9   6    -0.11   0.19  -0.04    -0.12   0.05   0.06     0.06  -0.08   0.02
    10   6    -0.01  -0.06  -0.15    -0.15   0.07   0.07    -0.24   0.10   0.13
    11   6    -0.01  -0.03  -0.06    -0.00  -0.01  -0.02     0.01   0.01   0.02
    12   6     0.05   0.01   0.06     0.08   0.01  -0.01     0.08   0.03  -0.01
    13   8     0.12   0.13   0.08    -0.18  -0.02   0.09     0.25   0.06  -0.07
    14   8     0.01  -0.11   0.14     0.49   0.08  -0.11    -0.07   0.01   0.02
    15   1     0.04  -0.13   0.00    -0.00  -0.09  -0.03    -0.04  -0.21  -0.09
    16   1     0.03  -0.13  -0.06    -0.01  -0.12  -0.05    -0.04  -0.22  -0.07
    17   1    -0.05   0.04   0.01    -0.01  -0.04  -0.02     0.05   0.12   0.05
    18   1    -0.04   0.06   0.08    -0.00  -0.02  -0.01     0.04   0.12   0.02
    19   1     0.04  -0.11   0.12     0.04   0.06   0.02     0.00   0.07  -0.05
    20   1     0.01   0.04   0.18     0.04   0.05   0.02     0.05   0.03  -0.08
    21   1    -0.01   0.03   0.07    -0.06   0.15   0.06    -0.06   0.16  -0.13
    22   1    -0.14   0.23  -0.10    -0.17   0.08   0.08     0.02  -0.05   0.03
    23   1    -0.12   0.26   0.06    -0.08   0.05   0.05     0.18  -0.10  -0.08
    24   1    -0.13   0.20  -0.12    -0.14  -0.02   0.05     0.07  -0.17   0.15
    25   1    -0.02  -0.05  -0.23    -0.17   0.00   0.07    -0.24  -0.00   0.25
    26   1     0.05  -0.17  -0.12    -0.12   0.10   0.07    -0.33   0.20   0.10
    27   1    -0.03  -0.03  -0.21    -0.20   0.11   0.10    -0.28   0.13   0.14
    28   1    -0.05  -0.12  -0.09     0.00   0.00  -0.02     0.03   0.05   0.03
    29   6    -0.03   0.08  -0.17    -0.06   0.03  -0.01    -0.05   0.03   0.06
    30   1     0.06  -0.08   0.22     0.52   0.09  -0.10    -0.00   0.02  -0.00
    31   1    -0.03   0.10  -0.18    -0.06   0.10  -0.00    -0.04   0.07   0.10
    32   1    -0.06   0.06  -0.26    -0.13   0.01   0.00    -0.09   0.02   0.07
    33   1    -0.00   0.18  -0.14    -0.06   0.00  -0.01    -0.07   0.00   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --     57.6977                90.9939               114.0473
 Red. masses --      3.8981                 2.9378                 4.5564
 Frc consts  --      0.0076                 0.0143                 0.0349
 IR Inten    --      0.4863                 0.0494                 0.1132
 RamAct Fr= 1--      3.4898                 2.1592                 2.9675
  Dep-P Fr= 1--      0.7349                 0.7476                 0.6972
  Dep-U Fr= 1--      0.8472                 0.8556                 0.8216
 Alpha2 Fr= 1--      0.0009                 0.0001                 0.0027
 Beta2  Fr= 1--      0.4928                 0.3079                 0.4063
 AlphaG Fr= 1--     -0.0021                 0.0007                -0.0022
 Gamma2 Fr= 1--      0.7934                 0.3353                 0.0543
 Delta2 Fr= 1--      0.6478                 0.1451                 0.0438
 Raman1 Fr= 1--      13.959                  8.637                 11.870
 ROA1   Fr= 1--      96.901                 36.833                  6.614
 CID1   Fr= 1--       6.942                  4.265                  0.557
 Raman2 Fr= 1--       5.913                  3.695                  4.876
 ROA2   Fr= 1--      13.860                  6.886                  0.952
 CID2   Fr= 1--       2.344                  1.864                  0.195
 Raman3 Fr= 1--      11.826                  7.389                  9.752
 ROA3   Fr= 1--      96.901                 36.833                  6.614
 CID3   Fr= 1--       8.194                  4.985                  0.678
 RC180  Fr= 1--       0.694                  0.711                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.07  -0.02    -0.03  -0.08  -0.11    -0.10   0.10   0.05
     2   6    -0.01   0.05   0.04     0.00   0.02  -0.08    -0.07   0.13   0.04
     3   6    -0.01  -0.09  -0.05    -0.03  -0.10  -0.09    -0.11  -0.03   0.02
     4   6    -0.02   0.02  -0.02     0.01   0.00  -0.04    -0.10  -0.12   0.00
     5   6    -0.01   0.18   0.05     0.04   0.11  -0.01    -0.08  -0.07   0.00
     6   6    -0.01   0.20   0.08     0.04   0.11  -0.04    -0.06   0.06   0.02
     7   6    -0.01  -0.01   0.02     0.01   0.03  -0.07    -0.07   0.10  -0.00
     8   6     0.06  -0.04  -0.02     0.01  -0.02   0.08     0.06   0.02  -0.01
     9   6     0.23  -0.08  -0.00    -0.18  -0.04   0.07     0.14   0.02  -0.01
    10   6     0.00  -0.01   0.05     0.19   0.01   0.04     0.20   0.06  -0.01
    11   6    -0.03  -0.03  -0.07     0.02   0.00   0.02    -0.10  -0.09   0.01
    12   6    -0.07  -0.03   0.01    -0.00  -0.01   0.03     0.06  -0.05  -0.02
    13   8    -0.17   0.00   0.07    -0.01  -0.01   0.03     0.18  -0.01  -0.06
    14   8     0.03  -0.06   0.03    -0.02  -0.01   0.04     0.12  -0.06  -0.03
    15   1    -0.00  -0.17  -0.05    -0.05  -0.15  -0.14    -0.11   0.16   0.06
    16   1    -0.01  -0.20  -0.11    -0.06  -0.18  -0.10    -0.13  -0.05   0.03
    17   1    -0.02   0.28   0.08     0.07   0.19   0.02    -0.07  -0.12  -0.01
    18   1    -0.01   0.30   0.13     0.06   0.19  -0.02    -0.05   0.08   0.02
    19   1    -0.04  -0.04   0.02     0.03   0.12  -0.09    -0.13   0.11  -0.01
    20   1    -0.04  -0.02   0.03    -0.02  -0.03  -0.14    -0.11   0.06  -0.04
    21   1     0.03  -0.06  -0.14     0.03  -0.07   0.22     0.03  -0.11  -0.03
    22   1     0.28  -0.10  -0.05    -0.12  -0.11   0.17     0.24  -0.05  -0.02
    23   1     0.28  -0.10  -0.06    -0.36  -0.07   0.10     0.06  -0.01  -0.02
    24   1     0.27  -0.06   0.12    -0.19   0.07  -0.08     0.17   0.13   0.02
    25   1     0.03   0.00   0.16     0.15   0.01  -0.15     0.22   0.17  -0.02
    26   1    -0.12   0.01   0.03     0.38   0.03   0.05     0.18   0.05  -0.01
    27   1     0.04  -0.03   0.00     0.15  -0.01   0.18     0.28  -0.01  -0.01
    28   1    -0.06  -0.10  -0.09     0.07   0.02   0.04    -0.11  -0.06   0.01
    29   6     0.02   0.01  -0.15    -0.03  -0.02   0.08    -0.18  -0.04   0.03
    30   1    -0.00  -0.06   0.08    -0.03  -0.01   0.04     0.27  -0.02  -0.06
    31   1     0.01  -0.04  -0.17    -0.02  -0.02   0.15    -0.18   0.06   0.03
    32   1     0.04   0.00  -0.21    -0.01  -0.01   0.08    -0.28  -0.07   0.05
    33   1     0.03   0.08  -0.13    -0.10  -0.03   0.07    -0.17  -0.08   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    156.4530               200.6287               223.8801
 Red. masses --      3.7913                 2.9721                 1.0878
 Frc consts  --      0.0547                 0.0705                 0.0321
 IR Inten    --      0.0817                 0.5088                 0.2947
 RamAct Fr= 1--      0.8476                 0.2896                 0.0479
  Dep-P Fr= 1--      0.1303                 0.2003                 0.5311
  Dep-U Fr= 1--      0.2306                 0.3338                 0.6937
 Alpha2 Fr= 1--      0.0138                 0.0039                 0.0002
 Beta2  Fr= 1--      0.0326                 0.0161                 0.0055
 AlphaG Fr= 1--     -0.0004                -0.0031                -0.0008
 Gamma2 Fr= 1--     -0.0819                 0.5089                 0.1070
 Delta2 Fr= 1--     -0.1322                 0.2612                 0.0410
 Raman1 Fr= 1--       3.390                  1.158                  0.192
 ROA1   Fr= 1--     -12.094                 57.209                 11.588
 CID1   Fr= 1--      -3.567                 49.383                 60.434
 Raman2 Fr= 1--       0.391                  0.193                  0.067
 ROA2   Fr= 1--      -0.908                 10.123                  2.240
 CID2   Fr= 1--      -2.324                 52.363                 33.686
 Raman3 Fr= 1--       0.782                  0.387                  0.133
 ROA3   Fr= 1--     -12.094                 57.209                 11.588
 CID3   Fr= 1--     -15.470                147.962                 87.117
 RC180  Fr= 1--      -0.539                 -0.332                  0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.05    -0.03  -0.11   0.04     0.01   0.02  -0.01
     2   6    -0.05   0.03   0.00     0.01  -0.05   0.02     0.00   0.01  -0.01
     3   6    -0.05   0.08   0.11    -0.02  -0.13   0.08     0.01   0.02  -0.01
     4   6     0.00   0.05   0.12     0.00  -0.07   0.10     0.00   0.01  -0.02
     5   6     0.03   0.11   0.12     0.03  -0.10   0.07     0.00   0.02  -0.01
     6   6     0.02   0.09   0.06     0.04  -0.09   0.03     0.00   0.02  -0.01
     7   6    -0.08  -0.02  -0.10     0.01   0.06  -0.08     0.00  -0.01   0.01
     8   6    -0.08  -0.04  -0.04     0.02   0.05  -0.04    -0.00  -0.01   0.01
     9   6    -0.15  -0.10  -0.04     0.02  -0.00  -0.03    -0.01  -0.01   0.00
    10   6    -0.05  -0.01  -0.01     0.09   0.11   0.00    -0.02  -0.02  -0.00
    11   6    -0.01  -0.05   0.02    -0.01   0.02   0.03     0.00   0.00  -0.01
    12   6     0.04  -0.04  -0.01    -0.02   0.03   0.01     0.00  -0.00  -0.00
    13   8     0.12  -0.03  -0.03    -0.06  -0.03  -0.00    -0.00   0.02   0.01
    14   8     0.10  -0.03  -0.02    -0.07   0.09  -0.03     0.00  -0.03   0.02
    15   1    -0.11   0.05   0.03    -0.07  -0.12   0.02     0.01   0.03  -0.00
    16   1    -0.09   0.07   0.14    -0.04  -0.15   0.08     0.01   0.02  -0.01
    17   1     0.06   0.13   0.14     0.07  -0.11   0.08     0.00   0.02  -0.01
    18   1     0.05   0.10   0.03     0.06  -0.08   0.01     0.00   0.03  -0.00
    19   1    -0.15   0.06  -0.13    -0.06   0.14  -0.11     0.01  -0.02   0.01
    20   1    -0.06  -0.06  -0.18     0.10   0.04  -0.17    -0.01  -0.01   0.02
    21   1    -0.07  -0.03  -0.01     0.02   0.03  -0.03     0.00  -0.00   0.01
    22   1    -0.10  -0.16   0.04     0.10  -0.08   0.03    -0.04   0.02  -0.00
    23   1    -0.25  -0.15  -0.05    -0.09  -0.06  -0.06     0.02   0.01   0.01
    24   1    -0.15  -0.04  -0.09     0.04   0.09  -0.05    -0.02  -0.03   0.00
    25   1    -0.06  -0.04  -0.06     0.06   0.07  -0.10    -0.01  -0.02   0.02
    26   1     0.02   0.03  -0.02     0.23   0.19  -0.00    -0.04  -0.03  -0.00
    27   1    -0.08  -0.01   0.06     0.05   0.10   0.15    -0.01  -0.02  -0.03
    28   1    -0.12  -0.09  -0.01    -0.12  -0.01   0.00     0.01   0.01  -0.01
    29   6     0.18  -0.05  -0.14     0.01   0.14  -0.12    -0.00  -0.02   0.02
    30   1     0.19  -0.01  -0.05    -0.15   0.06  -0.07     0.00  -0.02   0.04
    31   1     0.15  -0.15  -0.30    -0.02   0.35  -0.38    -0.05   0.38  -0.35
    32   1     0.24  -0.03  -0.15    -0.22   0.08  -0.02    -0.38  -0.08   0.46
    33   1     0.32   0.02  -0.10     0.31   0.08  -0.09     0.42  -0.41  -0.01
                     10                     11                     12
                      A                      A                      A
 Frequencies --    247.8006               257.0280               269.1202
 Red. masses --      1.0980                 2.7068                 1.1202
 Frc consts  --      0.0397                 0.1054                 0.0478
 IR Inten    --      0.0684                 0.8410                 0.8045
 RamAct Fr= 1--      0.2370                 1.2889                 0.4942
  Dep-P Fr= 1--      0.7355                 0.7199                 0.0811
  Dep-U Fr= 1--      0.8476                 0.8371                 0.1500
 Alpha2 Fr= 1--      0.0001                 0.0007                 0.0091
 Beta2  Fr= 1--      0.0335                 0.1798                 0.0124
 AlphaG Fr= 1--     -0.0026                -0.0021                 0.0050
 Gamma2 Fr= 1--     -0.2147                 0.0473                 0.0721
 Delta2 Fr= 1--     -0.0335                 0.2498                -0.0264
 Raman1 Fr= 1--       0.948                  5.156                  1.977
 ROA1   Fr= 1--     -21.683                 12.537                  6.080
 CID1   Fr= 1--     -22.871                  2.432                  3.076
 Raman2 Fr= 1--       0.402                  2.158                  0.148
 ROA2   Fr= 1--      -4.884                 -0.862                  1.942
 CID2   Fr= 1--     -12.156                 -0.400                 13.097
 Raman3 Fr= 1--       0.804                  4.316                  0.297
 ROA3   Fr= 1--     -21.683                 12.537                  6.080
 CID3   Fr= 1--     -26.984                  2.905                 20.501
 RC180  Fr= 1--       0.695                  0.674                 -0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.02    -0.06  -0.09  -0.05    -0.01  -0.01   0.00
     2   6     0.01  -0.00   0.02    -0.06  -0.05  -0.02    -0.01  -0.00   0.01
     3   6     0.02   0.02  -0.00    -0.05  -0.04  -0.03    -0.01  -0.01   0.00
     4   6     0.00   0.00  -0.02    -0.03   0.04   0.00    -0.02   0.01   0.01
     5   6    -0.01   0.00  -0.01    -0.05  -0.04  -0.02    -0.02  -0.00   0.00
     6   6    -0.00   0.00   0.02    -0.06  -0.09  -0.03    -0.02  -0.01   0.00
     7   6     0.01  -0.01   0.01    -0.05   0.02   0.02    -0.00   0.01  -0.00
     8   6     0.00   0.00  -0.01    -0.02   0.02   0.02     0.01   0.01  -0.00
     9   6     0.03  -0.00  -0.01     0.06   0.07   0.01     0.02  -0.01   0.00
    10   6    -0.04  -0.01  -0.01     0.05   0.05   0.03     0.03   0.01  -0.02
    11   6     0.00   0.00  -0.02    -0.01   0.05  -0.01    -0.02   0.01  -0.01
    12   6    -0.00   0.00  -0.01    -0.02   0.05  -0.02    -0.01   0.01  -0.01
    13   8    -0.00   0.02  -0.00     0.00   0.13   0.01    -0.00   0.04  -0.00
    14   8     0.00  -0.02   0.00     0.02   0.00   0.02     0.01  -0.01   0.00
    15   1     0.04   0.01   0.02    -0.06  -0.13  -0.06    -0.01  -0.02   0.00
    16   1     0.03   0.03  -0.01    -0.06  -0.05  -0.03    -0.01  -0.01  -0.00
    17   1    -0.02  -0.00  -0.02    -0.07  -0.04  -0.02    -0.02  -0.00   0.00
    18   1    -0.02   0.00   0.03    -0.06  -0.11  -0.05    -0.02  -0.02   0.00
    19   1    -0.01  -0.02   0.01    -0.02   0.02   0.03    -0.01   0.01  -0.00
    20   1     0.02   0.00   0.01    -0.04   0.03   0.03     0.00   0.01  -0.01
    21   1    -0.00   0.02  -0.03    -0.04  -0.04  -0.01     0.01   0.01  -0.00
    22   1     0.33  -0.25   0.05     0.27  -0.07  -0.02    -0.29   0.24  -0.07
    23   1    -0.33  -0.13  -0.02    -0.13   0.02   0.03     0.42   0.11  -0.03
    24   1     0.11   0.37  -0.06     0.13   0.32   0.02    -0.05  -0.42   0.10
    25   1    -0.17  -0.29  -0.28     0.11   0.20   0.13    -0.08  -0.20  -0.32
    26   1     0.33   0.13   0.00    -0.08   0.02   0.02     0.41   0.11  -0.00
    27   1    -0.33   0.13   0.28     0.20  -0.03  -0.05    -0.21   0.11   0.25
    28   1     0.01   0.01  -0.01    -0.02   0.09   0.00    -0.02   0.02  -0.00
    29   6    -0.02  -0.01   0.02     0.19  -0.14   0.03     0.03  -0.04   0.01
    30   1     0.01  -0.01   0.02     0.07   0.03   0.06     0.03   0.00   0.02
    31   1    -0.01  -0.01   0.04     0.16  -0.32  -0.08     0.02  -0.09  -0.00
    32   1    -0.02  -0.01   0.04     0.36  -0.06   0.19     0.08  -0.02   0.04
    33   1    -0.04  -0.04   0.01     0.26  -0.26   0.01     0.03  -0.07   0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    281.9356               342.7546               352.7862
 Red. masses --      3.3470                 3.7261                 3.4106
 Frc consts  --      0.1567                 0.2579                 0.2501
 IR Inten    --      0.4993                 0.8138                 0.7419
 RamAct Fr= 1--      0.4047                 1.0676                 2.9001
  Dep-P Fr= 1--      0.5483                 0.4873                 0.4520
  Dep-U Fr= 1--      0.7083                 0.6553                 0.6226
 Alpha2 Fr= 1--      0.0016                 0.0056                 0.0176
 Beta2  Fr= 1--      0.0478                 0.1166                 0.3009
 AlphaG Fr= 1--      0.0023                 0.0085                -0.0049
 Gamma2 Fr= 1--      0.0267                -0.3858                 0.5782
 Delta2 Fr= 1--      0.1677                -0.8040                 0.2173
 Raman1 Fr= 1--       1.619                  4.270                 11.600
 ROA1   Fr= 1--       7.926                -62.766                 62.456
 CID1   Fr= 1--       4.897                -14.698                  5.384
 Raman2 Fr= 1--       0.573                  1.399                  3.611
 ROA2   Fr= 1--      -0.701                 -2.827                 12.137
 CID2   Fr= 1--      -1.224                 -2.021                  3.361
 Raman3 Fr= 1--       1.146                  2.798                  7.223
 ROA3   Fr= 1--       7.926                -62.766                 62.456
 CID3   Fr= 1--       6.914                -22.431                  8.647
 RC180  Fr= 1--       0.417                  0.311                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02   0.11    -0.04   0.07   0.01     0.02   0.06   0.02
     2   6     0.05  -0.04   0.13     0.05   0.11  -0.05    -0.01   0.17   0.09
     3   6     0.09  -0.01   0.02    -0.04  -0.09   0.09    -0.00  -0.11  -0.10
     4   6     0.01  -0.01  -0.02     0.00  -0.12   0.10     0.00  -0.09  -0.09
     5   6    -0.03   0.01   0.04     0.10  -0.09   0.05    -0.05  -0.11  -0.07
     6   6    -0.00  -0.01   0.12     0.11   0.05  -0.03    -0.03   0.06   0.04
     7   6     0.03   0.01  -0.05     0.06   0.06  -0.07    -0.03   0.08   0.08
     8   6     0.00   0.03  -0.11     0.06  -0.01   0.08    -0.00   0.06  -0.02
     9   6    -0.11  -0.12  -0.10     0.01   0.01   0.09    -0.04  -0.16   0.03
    10   6     0.04   0.13  -0.02    -0.08  -0.16  -0.04    -0.03  -0.02  -0.13
    11   6    -0.01   0.02  -0.09    -0.03   0.01  -0.04     0.05   0.01   0.02
    12   6    -0.02   0.03  -0.08    -0.02   0.06  -0.10     0.04   0.03   0.06
    13   8    -0.05   0.14  -0.02    -0.07   0.19  -0.03     0.01  -0.03   0.05
    14   8     0.00  -0.09  -0.00    -0.02  -0.04  -0.03    -0.03   0.12   0.02
    15   1     0.16  -0.03   0.14    -0.14   0.13  -0.01     0.07   0.06   0.04
    16   1     0.14  -0.01  -0.02    -0.10  -0.13   0.12    -0.00  -0.19  -0.14
    17   1    -0.08   0.04   0.02     0.20  -0.14   0.08    -0.11  -0.17  -0.12
    18   1    -0.06  -0.00   0.17     0.18   0.07  -0.08    -0.05   0.06   0.05
    19   1    -0.13   0.02  -0.08     0.04   0.25  -0.11    -0.07  -0.04   0.10
    20   1     0.16   0.03  -0.11    -0.00  -0.07  -0.23    -0.07   0.12   0.16
    21   1     0.01   0.06  -0.10     0.08   0.03   0.11    -0.00   0.06  -0.02
    22   1    -0.16  -0.13   0.08     0.03  -0.01   0.09    -0.03  -0.24   0.26
    23   1    -0.15  -0.19  -0.18    -0.03   0.01   0.11    -0.08  -0.32  -0.17
    24   1    -0.14  -0.19  -0.16     0.01   0.04   0.05    -0.05  -0.22   0.05
    25   1     0.12   0.29   0.15    -0.09  -0.24   0.00    -0.04  -0.02  -0.18
    26   1    -0.14   0.17  -0.04    -0.17  -0.36  -0.01    -0.02  -0.18  -0.09
    27   1     0.22   0.01  -0.06    -0.15  -0.04  -0.27    -0.05   0.03  -0.26
    28   1    -0.00   0.10  -0.07    -0.14   0.11  -0.04     0.10  -0.02   0.03
    29   6    -0.07  -0.07   0.06    -0.02  -0.06   0.00     0.12  -0.01   0.00
    30   1     0.01  -0.06   0.11    -0.05  -0.02   0.06    -0.12   0.07  -0.07
    31   1    -0.04  -0.10   0.20    -0.01  -0.14   0.08     0.10  -0.08  -0.07
    32   1    -0.01  -0.05   0.10     0.06  -0.03  -0.00     0.18   0.02   0.03
    33   1    -0.22  -0.16   0.02    -0.11  -0.07  -0.01     0.18  -0.01   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    389.8100               406.7442               420.3844
 Red. masses --      2.5216                 1.9381                 3.3094
 Frc consts  --      0.2258                 0.1889                 0.3446
 IR Inten    --      1.4281                 0.0486                 1.1967
 RamAct Fr= 1--      1.6204                 0.9208                 1.8239
  Dep-P Fr= 1--      0.4267                 0.1347                 0.1137
  Dep-U Fr= 1--      0.5982                 0.2374                 0.2043
 Alpha2 Fr= 1--      0.0109                 0.0148                 0.0309
 Beta2  Fr= 1--      0.1615                 0.0364                 0.0621
 AlphaG Fr= 1--     -0.0048                -0.0119                 0.0707
 Gamma2 Fr= 1--     -0.0021                -0.1162                 1.5281
 Delta2 Fr= 1--     -0.2025                -0.0281                 0.3301
 Raman1 Fr= 1--       6.482                  3.683                  7.296
 ROA1   Fr= 1--      -6.680                -12.051                157.258
 CID1   Fr= 1--      -1.031                 -3.272                 21.555
 Raman2 Fr= 1--       1.938                  0.437                  0.745
 ROA2   Fr= 1--       1.570                 -2.564                 34.033
 CID2   Fr= 1--       0.810                 -5.864                 45.676
 Raman3 Fr= 1--       3.877                  0.874                  1.490
 ROA3   Fr= 1--      -6.680                -12.051                157.258
 CID3   Fr= 1--      -1.723                -13.783                105.530
 RC180  Fr= 1--       0.196                 -0.525                 -0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.02    -0.02   0.05  -0.03     0.00   0.18   0.04
     2   6     0.00   0.08   0.03     0.03   0.01  -0.08    -0.07   0.02   0.02
     3   6    -0.01  -0.07  -0.03    -0.03  -0.05   0.04    -0.02  -0.16  -0.08
     4   6    -0.00  -0.10  -0.04    -0.02  -0.01   0.06     0.07  -0.02  -0.00
     5   6    -0.00  -0.06  -0.02     0.05   0.04   0.03     0.04   0.13   0.09
     6   6     0.01   0.06   0.02     0.02  -0.02  -0.09    -0.02  -0.17  -0.03
     7   6    -0.02  -0.08  -0.01     0.07  -0.06   0.14    -0.11   0.00   0.01
     8   6     0.06  -0.13  -0.06     0.03   0.03  -0.05    -0.09  -0.02   0.01
     9   6    -0.05   0.09  -0.13    -0.03  -0.06  -0.04     0.02   0.02   0.01
    10   6    -0.01  -0.01   0.16     0.01   0.07  -0.00     0.01   0.00  -0.01
    11   6     0.02  -0.00  -0.00    -0.05  -0.02   0.02     0.12   0.04  -0.02
    12   6     0.02   0.03   0.02    -0.03   0.00  -0.01     0.07  -0.00  -0.07
    13   8    -0.01   0.02   0.03    -0.00   0.04  -0.01    -0.04  -0.01  -0.03
    14   8    -0.02   0.07   0.00    -0.00   0.00  -0.01     0.01  -0.10  -0.00
    15   1     0.02   0.12   0.04    -0.10   0.12  -0.05     0.06   0.35   0.12
    16   1    -0.02  -0.11  -0.04    -0.07  -0.09   0.05    -0.09  -0.36  -0.11
    17   1    -0.01  -0.08  -0.03     0.13   0.07   0.08     0.02   0.32   0.14
    18   1     0.02   0.08   0.02     0.05  -0.06  -0.14     0.00  -0.34  -0.13
    19   1    -0.07  -0.14  -0.01     0.28  -0.47   0.26    -0.11   0.02   0.00
    20   1    -0.09  -0.10   0.01    -0.06   0.16   0.54    -0.12  -0.01  -0.01
    21   1     0.06  -0.13  -0.06     0.04   0.06  -0.05    -0.11  -0.07  -0.01
    22   1    -0.15   0.20  -0.28    -0.03  -0.10   0.10     0.06   0.02  -0.09
    23   1    -0.07   0.26   0.12    -0.10  -0.13  -0.11     0.08   0.03   0.01
    24   1    -0.10   0.10  -0.33    -0.04  -0.07  -0.09     0.05   0.03   0.12
    25   1    -0.01  -0.13   0.32     0.01   0.06   0.02     0.01   0.07  -0.09
    26   1    -0.06   0.30   0.10     0.01   0.14  -0.02     0.09   0.01   0.00
    27   1    -0.06  -0.03   0.38     0.02   0.05   0.05     0.04  -0.04   0.05
    28   1     0.02  -0.01  -0.00    -0.10  -0.01   0.01     0.10   0.11  -0.01
    29   6     0.04  -0.02  -0.00    -0.02  -0.02  -0.02     0.04   0.09   0.04
    30   1    -0.09   0.04  -0.04     0.06   0.02  -0.02    -0.16  -0.11   0.15
    31   1     0.03  -0.07  -0.03    -0.03  -0.05  -0.04     0.06   0.16   0.13
    32   1     0.09  -0.01   0.01    -0.01  -0.02  -0.03    -0.01   0.07   0.01
    33   1     0.05  -0.03  -0.00    -0.01  -0.00  -0.01    -0.03   0.09   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    426.6512               475.1605               561.8093
 Red. masses --      3.2221                 3.3424                 2.9733
 Frc consts  --      0.3456                 0.4446                 0.5529
 IR Inten    --      1.9970                 3.4841                32.4741
 RamAct Fr= 1--      2.4641                 0.6639                 0.0861
  Dep-P Fr= 1--      0.1090                 0.1625                 0.5494
  Dep-U Fr= 1--      0.1965                 0.2795                 0.7092
 Alpha2 Fr= 1--      0.0422                 0.0099                 0.0003
 Beta2  Fr= 1--      0.0807                 0.0309                 0.0102
 AlphaG Fr= 1--     -0.0775                 0.0062                -0.0041
 Gamma2 Fr= 1--     -0.9484                -0.1308                -0.0143
 Delta2 Fr= 1--     -0.0489                -0.0791                -0.0628
 Raman1 Fr= 1--       9.857                  2.656                  0.345
 ROA1   Fr= 1--     -92.609                -15.091                 -3.379
 CID1   Fr= 1--      -9.396                 -5.683                 -9.806
 Raman2 Fr= 1--       0.968                  0.371                  0.122
 ROA2   Fr= 1--     -22.370                 -2.508                  0.160
 CID2   Fr= 1--     -23.098                 -6.757                  1.313
 Raman3 Fr= 1--       1.937                  0.742                  0.244
 ROA3   Fr= 1--     -92.609                -15.091                 -3.379
 CID3   Fr= 1--     -47.811                -20.329                -13.827
 RC180  Fr= 1--      -0.607                 -0.441                  0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08   0.10    -0.04  -0.06   0.00     0.01  -0.06  -0.07
     2   6     0.07  -0.05   0.03     0.02   0.11   0.05    -0.04   0.16   0.05
     3   6     0.00  -0.09  -0.05    -0.05  -0.03  -0.01     0.04   0.02  -0.00
     4   6    -0.08   0.04  -0.03    -0.04   0.15   0.04     0.11   0.18   0.08
     5   6    -0.03   0.17  -0.01    -0.07  -0.01  -0.03     0.06   0.00   0.06
     6   6    -0.04  -0.14  -0.04    -0.06  -0.05  -0.03     0.03  -0.10  -0.00
     7   6     0.11   0.02  -0.08     0.07   0.08   0.01    -0.10   0.07   0.04
     8   6     0.09   0.02   0.02     0.21   0.01  -0.02     0.01  -0.02  -0.01
     9   6     0.00   0.02   0.01    -0.03  -0.02  -0.05    -0.01  -0.01  -0.03
    10   6    -0.02  -0.04  -0.01    -0.02  -0.05   0.03    -0.00  -0.03   0.02
    11   6    -0.12  -0.05   0.02    -0.02   0.09   0.07     0.05  -0.06  -0.10
    12   6    -0.08  -0.00   0.09    -0.03  -0.01  -0.05     0.01  -0.03   0.04
    13   8     0.06  -0.01   0.04    -0.01  -0.06  -0.08     0.02   0.02   0.06
    14   8    -0.01   0.12   0.01     0.04  -0.15   0.02    -0.02   0.07  -0.02
    15   1     0.07   0.22   0.14    -0.07  -0.20  -0.05     0.01  -0.37  -0.16
    16   1     0.07  -0.20  -0.15    -0.04  -0.16  -0.08    -0.05  -0.24  -0.06
    17   1    -0.01   0.32   0.05    -0.09  -0.14  -0.08     0.00  -0.25  -0.04
    18   1    -0.14  -0.28  -0.03    -0.13  -0.20  -0.05     0.06  -0.38  -0.17
    19   1     0.02   0.22  -0.14    -0.01   0.07   0.00    -0.14   0.03   0.04
    20   1     0.19  -0.07  -0.27     0.02   0.03  -0.02    -0.17   0.05   0.05
    21   1     0.11   0.07   0.03     0.21   0.02  -0.02    -0.01  -0.09  -0.03
    22   1    -0.01   0.01   0.07    -0.15   0.02   0.13    -0.03   0.01  -0.02
    23   1    -0.05   0.01   0.04    -0.16  -0.01   0.01    -0.02   0.01  -0.00
    24   1    -0.02   0.02  -0.07    -0.11  -0.07  -0.32    -0.02  -0.02  -0.08
    25   1    -0.03  -0.11   0.06    -0.05  -0.28   0.21    -0.01  -0.07   0.05
    26   1    -0.09  -0.09  -0.00    -0.17  -0.02   0.01    -0.02  -0.00   0.01
    27   1    -0.08   0.03  -0.11    -0.17   0.08  -0.06    -0.03  -0.01   0.03
    28   1    -0.08  -0.15   0.01    -0.02   0.14   0.08     0.02  -0.16  -0.12
    29   6    -0.04  -0.10  -0.05     0.06   0.12   0.06    -0.10  -0.09  -0.07
    30   1     0.20   0.13  -0.18     0.20  -0.07   0.21    -0.05   0.02  -0.19
    31   1    -0.06  -0.17  -0.15     0.05   0.11  -0.00    -0.06   0.04   0.11
    32   1     0.02  -0.07  -0.01     0.06   0.11   0.02    -0.20  -0.12  -0.01
    33   1     0.04  -0.11  -0.04     0.11   0.18   0.08    -0.25  -0.21  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --    574.6024               626.7040               643.7009
 Red. masses --      1.9074                 2.0760                 2.7198
 Frc consts  --      0.3710                 0.4804                 0.6640
 IR Inten    --     34.4608                36.9723                33.0647
 RamAct Fr= 1--      1.0807                 1.4929                 2.6896
  Dep-P Fr= 1--      0.5236                 0.4096                 0.6803
  Dep-U Fr= 1--      0.6873                 0.5811                 0.8097
 Alpha2 Fr= 1--      0.0048                 0.0107                 0.0033
 Beta2  Fr= 1--      0.1238                 0.1446                 0.3630
 AlphaG Fr= 1--      0.0134                 0.0169                -0.0080
 Gamma2 Fr= 1--     -0.2822                -0.6687                -0.2952
 Delta2 Fr= 1--     -0.0276                 0.4006                -0.3990
 Raman1 Fr= 1--       4.323                  5.972                 10.758
 ROA1   Fr= 1--     -27.972                -51.376                -41.103
 CID1   Fr= 1--      -6.471                 -8.603                 -3.821
 Raman2 Fr= 1--       1.486                  1.735                  4.356
 ROA2   Fr= 1--      -6.551                -19.254                 -3.892
 CID2   Fr= 1--      -4.410                -11.097                 -0.894
 Raman3 Fr= 1--       2.971                  3.470                  8.711
 ROA3   Fr= 1--     -27.972                -51.376                -41.103
 CID3   Fr= 1--      -9.415                -14.805                 -4.718
 RC180  Fr= 1--       0.375                  0.162                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02   0.01    -0.04  -0.02  -0.02     0.06   0.02  -0.09
     2   6     0.05   0.07   0.03    -0.07  -0.06  -0.00    -0.04  -0.02  -0.06
     3   6     0.04  -0.05  -0.02    -0.03   0.05  -0.04     0.09  -0.03   0.06
     4   6     0.01   0.05   0.01     0.05  -0.07  -0.05     0.03  -0.07   0.03
     5   6     0.04  -0.04  -0.05     0.03   0.02   0.02    -0.07  -0.03   0.12
     6   6     0.06   0.03   0.00     0.01  -0.05   0.04    -0.09   0.02  -0.03
     7   6    -0.02  -0.05  -0.01    -0.04   0.07   0.04    -0.02   0.03  -0.00
     8   6    -0.12  -0.03   0.00     0.08   0.02  -0.00     0.04   0.01   0.00
     9   6    -0.00   0.01   0.01     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    10   6    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.00  -0.01   0.00
    11   6    -0.06   0.01   0.06     0.08  -0.06   0.03     0.02   0.09  -0.13
    12   6    -0.13  -0.01   0.01    -0.03  -0.06  -0.00     0.03   0.08   0.01
    13   8     0.00   0.02  -0.03    -0.01   0.09   0.05    -0.02  -0.11  -0.05
    14   8    -0.03  -0.04   0.01    -0.07  -0.02  -0.07    -0.04   0.03   0.13
    15   1     0.06  -0.07  -0.02     0.04   0.10   0.05     0.03   0.13  -0.07
    16   1     0.06  -0.18  -0.10    -0.04   0.22   0.04     0.03   0.05   0.15
    17   1     0.05  -0.19  -0.09    -0.02   0.21   0.06    -0.03   0.07   0.17
    18   1     0.04  -0.06  -0.03     0.05   0.10   0.08     0.00   0.13  -0.05
    19   1    -0.04  -0.04  -0.02    -0.04   0.05   0.04    -0.01   0.06  -0.00
    20   1    -0.03  -0.05  -0.01    -0.04   0.07   0.03    -0.02   0.01  -0.03
    21   1    -0.11  -0.01   0.01     0.06  -0.06  -0.03     0.02  -0.02  -0.01
    22   1     0.07  -0.01  -0.14    -0.07   0.01   0.11    -0.03   0.01   0.04
    23   1     0.08   0.03   0.00    -0.06  -0.02  -0.01    -0.03  -0.01  -0.00
    24   1     0.05   0.06   0.16    -0.04  -0.06  -0.15    -0.02  -0.02  -0.06
    25   1     0.02   0.16  -0.09    -0.02  -0.14   0.08    -0.01  -0.06   0.03
    26   1     0.08   0.03   0.00    -0.06  -0.03   0.00    -0.02  -0.02   0.00
    27   1     0.10  -0.09   0.08    -0.08   0.07  -0.05    -0.04   0.03  -0.03
    28   1    -0.02   0.01   0.07     0.13  -0.05   0.05    -0.03   0.05  -0.15
    29   6     0.01   0.03   0.02     0.03   0.03   0.03    -0.02  -0.02  -0.03
    30   1     0.77   0.14  -0.14     0.63   0.08  -0.42     0.72   0.22   0.09
    31   1    -0.01   0.01  -0.07     0.04   0.14   0.03     0.01  -0.07   0.11
    32   1     0.00   0.02  -0.04    -0.08  -0.03  -0.09     0.07   0.04   0.15
    33   1     0.09   0.11   0.05     0.05   0.13   0.05    -0.15  -0.23  -0.10
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.9918               708.2046               759.2806
 Red. masses --      5.0120                 2.9520                 4.0275
 Frc consts  --      1.3098                 0.8724                 1.3680
 IR Inten    --      8.6141                35.4656                12.7880
 RamAct Fr= 1--      4.6482                 0.1973                 8.0669
  Dep-P Fr= 1--      0.5243                 0.7452                 0.0055
  Dep-U Fr= 1--      0.6879                 0.8540                 0.0110
 Alpha2 Fr= 1--      0.0204                 0.0000                 0.1770
 Beta2  Fr= 1--      0.5329                 0.0281                 0.0148
 AlphaG Fr= 1--     -0.0571                -0.0011                -0.0058
 Gamma2 Fr= 1--      0.0582                 0.3531                 0.2882
 Delta2 Fr= 1--     -0.0238                -0.0751                -0.0383
 Raman1 Fr= 1--      18.593                  0.789                 32.267
 ROA1   Fr= 1--       4.821                 31.493                 26.439
 CID1   Fr= 1--       0.259                 39.899                  0.819
 Raman2 Fr= 1--       6.395                  0.337                  0.177
 ROA2   Fr= 1--       1.586                  9.075                  7.223
 CID2   Fr= 1--       0.248                 26.924                 40.714
 Raman3 Fr= 1--      12.791                  0.674                  0.355
 ROA3   Fr= 1--       4.821                 31.493                 26.439
 CID3   Fr= 1--       0.377                 46.719                 74.513
 RC180  Fr= 1--       0.376                  0.708                 -0.978
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.19  -0.04   0.16     0.09  -0.05  -0.08    -0.01  -0.14   0.05
     2   6    -0.01  -0.04   0.07    -0.03   0.01   0.01     0.10   0.19   0.07
     3   6    -0.21   0.07  -0.10     0.11   0.02  -0.02     0.02   0.09   0.12
     4   6     0.01   0.01  -0.08     0.01  -0.09  -0.03    -0.11  -0.18  -0.06
     5   6     0.20   0.02  -0.14     0.08   0.02   0.01     0.00   0.15  -0.05
     6   6     0.23  -0.08   0.12     0.06  -0.07  -0.01    -0.03  -0.07  -0.13
     7   6    -0.02   0.01   0.03    -0.13   0.15   0.07     0.04   0.06   0.02
     8   6     0.01   0.00  -0.00    -0.01  -0.01  -0.00    -0.10  -0.03   0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.02  -0.07    -0.02  -0.02  -0.06
    10   6     0.01  -0.01   0.01     0.01  -0.06   0.03    -0.01  -0.05   0.03
    11   6    -0.00   0.08  -0.11    -0.12   0.00   0.10    -0.01  -0.00   0.01
    12   6     0.03   0.12  -0.01    -0.14   0.04   0.01     0.21   0.02  -0.05
    13   8    -0.03  -0.11  -0.09     0.02   0.00  -0.09    -0.05  -0.01   0.05
    14   8     0.00   0.04   0.14     0.07   0.01   0.03    -0.07  -0.02  -0.00
    15   1    -0.10  -0.02   0.20     0.19   0.09   0.01    -0.12  -0.35  -0.06
    16   1    -0.16   0.12  -0.11     0.16   0.28   0.06     0.13   0.22   0.09
    17   1     0.13   0.11  -0.14     0.14   0.27   0.12     0.11   0.25   0.02
    18   1     0.20  -0.03   0.17     0.14   0.10   0.00    -0.16  -0.31  -0.15
    19   1     0.03  -0.11   0.07    -0.15   0.15   0.07    -0.00   0.07   0.01
    20   1    -0.05   0.08   0.14    -0.13   0.13   0.05     0.01   0.05   0.03
    21   1     0.01  -0.03  -0.00    -0.06  -0.17  -0.06    -0.08   0.03   0.02
    22   1    -0.02  -0.00   0.02    -0.04  -0.00  -0.03     0.07  -0.03  -0.21
    23   1    -0.01  -0.01  -0.00    -0.02  -0.02  -0.06     0.06   0.01  -0.07
    24   1    -0.01  -0.02  -0.02    -0.02  -0.04  -0.11     0.04   0.04   0.09
    25   1    -0.00  -0.04   0.03    -0.00  -0.11   0.06     0.02   0.10  -0.05
    26   1    -0.01  -0.01   0.01    -0.01  -0.06   0.03     0.08  -0.03   0.04
    27   1    -0.01   0.01  -0.00    -0.03  -0.03   0.03     0.11  -0.16   0.12
    28   1    -0.04   0.04  -0.13    -0.07   0.01   0.11    -0.05   0.12   0.03
    29   6    -0.04  -0.04  -0.06    -0.03  -0.01   0.01     0.01   0.01   0.01
    30   1     0.33   0.16   0.30    -0.34  -0.02   0.34     0.25   0.03  -0.16
    31   1    -0.02  -0.12   0.04    -0.08  -0.14  -0.21    -0.01  -0.08  -0.06
    32   1     0.06   0.02   0.12     0.05   0.00  -0.08     0.10   0.04   0.01
    33   1    -0.15  -0.24  -0.12     0.16   0.12   0.06     0.08   0.04   0.03
                     28                     29                     30
                      A                      A                      A
 Frequencies --    785.5583               822.9498               832.2749
 Red. masses --      3.0906                 3.3060                 2.5160
 Frc consts  --      1.1237                 1.3192                 1.0268
 IR Inten    --      1.3590                 9.3489                 0.9230
 RamAct Fr= 1--     27.3735                 3.3293                 9.7778
  Dep-P Fr= 1--      0.0223                 0.1835                 0.1079
  Dep-U Fr= 1--      0.0437                 0.3102                 0.1949
 Alpha2 Fr= 1--      0.5773                 0.0472                 0.1679
 Beta2  Fr= 1--      0.1992                 0.1721                 0.3176
 AlphaG Fr= 1--     -0.0080                -0.0302                 0.0344
 Gamma2 Fr= 1--     -1.1069                 0.1436                 1.1563
 Delta2 Fr= 1--     -0.0651                 0.1249                 0.1349
 Raman1 Fr= 1--     109.494                 13.317                 39.111
 ROA1   Fr= 1--    -108.342                 17.778                115.318
 CID1   Fr= 1--      -0.989                  1.335                  2.948
 Raman2 Fr= 1--       2.390                  2.065                  3.811
 ROA2   Fr= 1--     -26.043                  2.446                 26.671
 CID2   Fr= 1--     -10.898                  1.184                  6.999
 Raman3 Fr= 1--       4.780                  4.130                  7.621
 ROA3   Fr= 1--    -108.342                 17.778                115.318
 CID3   Fr= 1--     -22.668                  4.304                 15.131
 RC180  Fr= 1--      -0.913                 -0.380                 -0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.08     0.06   0.05  -0.00    -0.03   0.04  -0.05
     2   6     0.03  -0.11  -0.05    -0.04  -0.13  -0.03    -0.01  -0.03  -0.01
     3   6    -0.01  -0.09   0.04     0.05  -0.01  -0.03    -0.05   0.06  -0.06
     4   6    -0.03   0.13   0.05    -0.02   0.08   0.04     0.04  -0.03  -0.01
     5   6    -0.01  -0.05  -0.08     0.03   0.01  -0.04    -0.04   0.02   0.09
     6   6    -0.00   0.05  -0.04     0.03   0.06   0.01    -0.04   0.02   0.07
     7   6     0.03   0.19   0.07    -0.10   0.02   0.03     0.13   0.04   0.00
     8   6    -0.11   0.02   0.02     0.04   0.01   0.00    -0.06   0.04   0.02
     9   6    -0.01  -0.03  -0.16     0.02   0.01   0.01    -0.01  -0.01  -0.10
    10   6     0.02  -0.13   0.10     0.01   0.02  -0.01     0.00  -0.07   0.07
    11   6     0.01   0.04  -0.06    -0.09  -0.03   0.14     0.07  -0.11   0.07
    12   6     0.03  -0.04   0.02     0.28   0.06  -0.10    -0.02   0.06  -0.05
    13   8     0.02  -0.01   0.06    -0.07  -0.01   0.02    -0.03   0.02  -0.08
    14   8    -0.01  -0.02  -0.04    -0.06  -0.02   0.02     0.01   0.04   0.07
    15   1    -0.03   0.32   0.16     0.12   0.01   0.01    -0.02  -0.12  -0.10
    16   1     0.04  -0.05   0.02     0.07  -0.24  -0.16    -0.15  -0.11  -0.07
    17   1     0.06   0.02  -0.03     0.01  -0.33  -0.16    -0.19  -0.28  -0.06
    18   1    -0.01   0.36   0.11     0.02  -0.03  -0.03    -0.06  -0.25  -0.04
    19   1     0.14   0.22   0.08    -0.10   0.06   0.02     0.21   0.11   0.00
    20   1     0.12   0.24   0.08    -0.06   0.01  -0.02     0.23   0.07  -0.01
    21   1    -0.12  -0.04  -0.00    -0.01  -0.14  -0.06    -0.02   0.16   0.06
    22   1     0.05  -0.06  -0.23    -0.06   0.03   0.14     0.07  -0.06  -0.17
    23   1     0.06  -0.06  -0.23    -0.06  -0.01   0.02     0.06  -0.05  -0.20
    24   1     0.03  -0.01  -0.03    -0.03  -0.05  -0.12     0.03   0.01   0.05
    25   1     0.03  -0.03   0.01    -0.01  -0.10   0.05     0.02   0.05  -0.04
    26   1     0.10  -0.20   0.12    -0.05   0.01  -0.02     0.10  -0.16   0.09
    27   1     0.09  -0.19   0.12    -0.08   0.10  -0.07     0.10  -0.15   0.07
    28   1    -0.04  -0.01  -0.08    -0.12   0.24   0.19     0.14  -0.05   0.10
    29   6     0.01   0.02  -0.01    -0.08  -0.08  -0.02    -0.00  -0.06   0.00
    30   1    -0.01  -0.05  -0.18     0.17   0.04  -0.02     0.06   0.10   0.26
    31   1     0.03   0.04   0.12    -0.14  -0.20  -0.32    -0.00   0.11  -0.06
    32   1     0.02   0.04   0.11     0.00  -0.08  -0.21    -0.20  -0.17  -0.26
    33   1    -0.11  -0.12  -0.06     0.19   0.18   0.08     0.06   0.18   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --    856.0954               857.7443               869.9837
 Red. masses --      1.3089                 3.2313                 1.7783
 Frc consts  --      0.5652                 1.4007                 0.7930
 IR Inten    --      1.6830                 5.8184                23.1868
 RamAct Fr= 1--      1.4788                 9.0503                 2.7706
  Dep-P Fr= 1--      0.3043                 0.2084                 0.0809
  Dep-U Fr= 1--      0.4666                 0.3450                 0.1497
 Alpha2 Fr= 1--      0.0150                 0.1202                 0.0508
 Beta2  Fr= 1--      0.1150                 0.5203                 0.0691
 AlphaG Fr= 1--     -0.0189                -0.0552                -0.0010
 Gamma2 Fr= 1--     -0.4764                 0.5442                 0.4163
 Delta2 Fr= 1--     -0.2924                -0.3847                 0.4945
 Raman1 Fr= 1--       5.915                 36.201                 11.083
 ROA1   Fr= 1--     -55.096                 39.931                 55.787
 CID1   Fr= 1--      -9.314                  1.103                  5.034
 Raman2 Fr= 1--       1.380                  6.244                  0.830
 ROA2   Fr= 1--      -9.095                 16.138                  6.035
 CID2   Fr= 1--      -6.591                  2.585                  7.273
 Raman3 Fr= 1--       2.760                 12.488                  1.660
 ROA3   Fr= 1--     -55.096                 39.931                 55.787
 CID3   Fr= 1--     -19.964                  3.198                 33.616
 RC180  Fr= 1--      -0.067                 -0.310                 -0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.01    -0.01  -0.04   0.15    -0.02  -0.09  -0.04
     2   6     0.00   0.02   0.01     0.02  -0.05  -0.02     0.02   0.10   0.04
     3   6    -0.00   0.06   0.01     0.05  -0.05   0.15    -0.02  -0.08  -0.05
     4   6     0.01   0.03   0.01    -0.03   0.00   0.01     0.03   0.11   0.04
     5   6    -0.02  -0.09  -0.03     0.01   0.06  -0.14    -0.02  -0.04  -0.01
     6   6    -0.02  -0.07  -0.02    -0.06   0.07  -0.14    -0.02  -0.04  -0.01
     7   6     0.02  -0.01   0.01    -0.11   0.02   0.02     0.05  -0.02  -0.01
     8   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.01    -0.01  -0.04  -0.01
     9   6    -0.00  -0.00  -0.00     0.01   0.01   0.04    -0.01  -0.01   0.03
    10   6    -0.01   0.00  -0.00     0.01   0.03  -0.03    -0.02   0.01  -0.03
    11   6     0.01  -0.02   0.03     0.16  -0.13   0.01     0.03  -0.03   0.05
    12   6     0.02   0.01  -0.02    -0.08   0.05  -0.03     0.05   0.02  -0.03
    13   8    -0.01   0.00  -0.01    -0.02   0.03  -0.08    -0.02   0.01  -0.02
    14   8    -0.00   0.01   0.01     0.02   0.06   0.06    -0.01   0.01   0.02
    15   1    -0.05  -0.36  -0.14    -0.14  -0.03   0.11     0.07   0.57   0.20
    16   1    -0.07  -0.36  -0.14     0.13  -0.15   0.04     0.05   0.52   0.19
    17   1     0.06   0.56   0.21     0.10  -0.07  -0.14    -0.01   0.21   0.08
    18   1     0.06   0.50   0.19    -0.16   0.06  -0.07    -0.00   0.21   0.09
    19   1    -0.01   0.03  -0.01    -0.13   0.01   0.02    -0.03  -0.04  -0.02
    20   1     0.02  -0.04  -0.04    -0.13   0.00   0.01    -0.01  -0.06  -0.03
    21   1     0.01   0.03  -0.00    -0.02  -0.17  -0.06     0.02   0.07   0.02
    22   1     0.00  -0.00  -0.01    -0.05   0.03   0.11     0.02  -0.00  -0.06
    23   1     0.01   0.00   0.01    -0.05   0.01   0.08     0.02   0.04   0.07
    24   1     0.00   0.01   0.00    -0.03  -0.03  -0.08     0.01   0.04   0.07
    25   1     0.00   0.04  -0.02    -0.01  -0.07   0.04     0.00   0.09  -0.03
    26   1     0.01   0.01  -0.00    -0.06   0.06  -0.04     0.01   0.08  -0.04
    27   1     0.02  -0.02   0.01    -0.07   0.09  -0.04     0.03  -0.04   0.04
    28   1     0.01   0.00   0.03     0.23  -0.19   0.01     0.04   0.04   0.07
    29   6    -0.01  -0.02  -0.01     0.06  -0.05   0.00    -0.03  -0.07  -0.02
    30   1     0.02   0.02   0.03     0.04   0.10   0.24     0.04   0.03   0.06
    31   1    -0.01   0.02  -0.03     0.11   0.33   0.18    -0.03   0.06  -0.04
    32   1    -0.06  -0.05  -0.07    -0.31  -0.20  -0.22    -0.15  -0.13  -0.18
    33   1     0.00   0.04   0.01    -0.09   0.12   0.02     0.00   0.09   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --    900.7413               942.7612               958.7782
 Red. masses --      1.5468                 1.2134                 1.5498
 Frc consts  --      0.7394                 0.6354                 0.8394
 IR Inten    --      0.1895                 0.3212                 0.0395
 RamAct Fr= 1--      0.4126                 0.3394                 4.8704
  Dep-P Fr= 1--      0.6913                 0.7499                 0.7444
  Dep-U Fr= 1--      0.8175                 0.8571                 0.8535
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0005
 Beta2  Fr= 1--      0.0562                 0.0485                 0.6928
 AlphaG Fr= 1--     -0.0017                -0.0001                 0.0080
 Gamma2 Fr= 1--      0.2481                -0.0600                 0.4578
 Delta2 Fr= 1--      0.2022                -0.0151                -0.9020
 Raman1 Fr= 1--       1.650                  1.358                 19.482
 ROA1   Fr= 1--      30.287                 -6.246                 15.085
 CID1   Fr= 1--      18.351                 -4.600                  0.774
 Raman2 Fr= 1--       0.675                  0.582                  8.314
 ROA2   Fr= 1--       4.336                 -1.320                 18.203
 CID2   Fr= 1--       6.428                 -2.269                  2.189
 Raman3 Fr= 1--       1.349                  1.164                 16.627
 ROA3   Fr= 1--      30.287                 -6.246                 15.085
 CID3   Fr= 1--      22.449                 -5.367                  0.907
 RC180  Fr= 1--       0.635                  0.714                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.03     0.00  -0.01   0.01     0.00  -0.00   0.01
     2   6     0.00  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     3   6    -0.03   0.00  -0.01     0.01  -0.00   0.00     0.01  -0.03   0.01
     4   6     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.00   0.02   0.01
     5   6     0.03   0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.09  -0.05
     6   6     0.01   0.02  -0.03    -0.00  -0.00   0.01     0.01   0.10   0.03
     7   6     0.02  -0.06   0.16    -0.01   0.03  -0.06    -0.04  -0.07  -0.02
     8   6     0.01  -0.02   0.05     0.00  -0.01   0.02     0.01   0.08   0.03
     9   6     0.05  -0.01  -0.05     0.05  -0.06   0.01     0.01   0.04  -0.06
    10   6    -0.05   0.04  -0.02    -0.04   0.04   0.06     0.02  -0.01   0.06
    11   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.01
    12   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.03   0.03  -0.03     0.01  -0.01   0.02    -0.01  -0.04  -0.00
    16   1    -0.06   0.03   0.04     0.03  -0.00  -0.01     0.04   0.13   0.06
    17   1     0.07  -0.06  -0.01    -0.03   0.01   0.00     0.09   0.56   0.19
    18   1     0.02  -0.02  -0.06    -0.01  -0.01   0.02    -0.08  -0.56  -0.22
    19   1    -0.16   0.49   0.01     0.08  -0.20  -0.00    -0.05  -0.05  -0.02
    20   1     0.12  -0.36  -0.35    -0.06   0.14   0.15    -0.04  -0.07  -0.01
    21   1    -0.02   0.07  -0.20    -0.03   0.10  -0.27     0.01   0.09   0.03
    22   1    -0.10   0.04   0.14    -0.11   0.11  -0.15     0.01  -0.02   0.13
    23   1    -0.13  -0.02   0.01    -0.12   0.17   0.41     0.00  -0.10  -0.25
    24   1    -0.05  -0.09  -0.33    -0.03   0.06  -0.37    -0.01  -0.07  -0.01
    25   1    -0.01   0.29  -0.19    -0.05   0.20  -0.31    -0.01  -0.05  -0.04
    26   1     0.13   0.02  -0.00     0.19  -0.39   0.16     0.05  -0.23   0.11
    27   1     0.13  -0.11   0.05     0.07   0.03  -0.20    -0.02   0.06  -0.11
    28   1    -0.03  -0.02  -0.02     0.01   0.01   0.01     0.02   0.02   0.01
    29   6     0.00   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.01
    30   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.03    -0.01  -0.00  -0.01    -0.01   0.01  -0.01
    32   1     0.01   0.02   0.03    -0.00  -0.00  -0.01    -0.03  -0.03  -0.03
    33   1    -0.03  -0.03  -0.02     0.01   0.01   0.01    -0.01   0.01  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    970.0690               973.8051               982.0901
 Red. masses --      1.6845                 1.5729                 1.4181
 Frc consts  --      0.9339                 0.8788                 0.8058
 IR Inten    --      0.2446                 0.0142                 0.0483
 RamAct Fr= 1--      3.6512                 2.4307                 0.2941
  Dep-P Fr= 1--      0.7239                 0.7486                 0.5005
  Dep-U Fr= 1--      0.8399                 0.8562                 0.6671
 Alpha2 Fr= 1--      0.0016                 0.0001                 0.0014
 Beta2  Fr= 1--      0.5111                 0.3469                 0.0327
 AlphaG Fr= 1--      0.0228                -0.0005                -0.0073
 Gamma2 Fr= 1--     -1.4012                -0.0547                 0.5703
 Delta2 Fr= 1--      0.7337                -0.0016                -0.0012
 Raman1 Fr= 1--      14.605                  9.723                  1.176
 ROA1   Fr= 1--    -111.033                 -5.303                 54.711
 CID1   Fr= 1--      -7.603                 -0.545                 46.515
 Raman2 Fr= 1--       6.133                  4.162                  0.392
 ROA2   Fr= 1--     -39.497                 -1.299                 13.697
 CID2   Fr= 1--      -6.440                 -0.312                 34.912
 Raman3 Fr= 1--      12.266                  8.325                  0.785
 ROA3   Fr= 1--    -111.033                 -5.303                 54.711
 CID3   Fr= 1--      -9.052                 -0.637                 69.726
 RC180  Fr= 1--       0.680                  0.712                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02     0.00  -0.00   0.01    -0.01  -0.11  -0.05
     2   6    -0.01   0.04   0.02    -0.00   0.00  -0.00    -0.01   0.03   0.01
     3   6     0.01  -0.06  -0.00     0.01  -0.00   0.00     0.02   0.10   0.04
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
     5   6     0.02   0.07   0.01    -0.00   0.00   0.00     0.01   0.01  -0.01
     6   6    -0.01  -0.08  -0.04    -0.00  -0.01   0.00     0.00  -0.02  -0.00
     7   6    -0.05  -0.11  -0.03    -0.01   0.01  -0.05    -0.02  -0.05  -0.02
     8   6     0.01   0.10   0.04    -0.01   0.05  -0.10     0.01   0.04   0.02
     9   6     0.00   0.04  -0.07     0.05   0.09   0.09    -0.00   0.02  -0.03
    10   6     0.02  -0.00   0.08    -0.03  -0.13   0.02     0.00  -0.00   0.03
    11   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.02  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    15   1    -0.03  -0.22  -0.07     0.00  -0.01   0.01     0.09   0.62   0.22
    16   1     0.06   0.30   0.12     0.02   0.00  -0.00    -0.06  -0.60  -0.23
    17   1    -0.02  -0.35  -0.14    -0.02  -0.02  -0.01    -0.00  -0.05  -0.03
    18   1     0.07   0.48   0.17     0.00   0.04   0.02     0.02   0.09   0.04
    19   1    -0.10  -0.11  -0.04     0.01  -0.12  -0.02    -0.06  -0.07  -0.02
    20   1    -0.09  -0.12  -0.03    -0.02   0.09   0.06    -0.06  -0.07  -0.02
    21   1     0.04   0.16   0.08    -0.04   0.14  -0.34     0.03   0.10   0.04
    22   1     0.03  -0.04   0.11    -0.12   0.06   0.56     0.02  -0.02   0.05
    23   1     0.04  -0.11  -0.30    -0.14  -0.11  -0.09     0.02  -0.05  -0.14
    24   1     0.00  -0.06   0.03    -0.07  -0.14  -0.10     0.00  -0.02   0.03
    25   1    -0.02  -0.05  -0.07     0.06   0.18  -0.00    -0.01   0.00  -0.04
    26   1     0.07  -0.31   0.14     0.13   0.11  -0.01     0.05  -0.13   0.06
    27   1    -0.02   0.10  -0.16     0.22  -0.40   0.32    -0.00   0.03  -0.06
    28   1     0.01   0.02   0.00     0.01   0.01   0.00    -0.04  -0.05  -0.02
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    30   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.01  -0.01  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.02
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.02   0.03   0.04
    33   1     0.01   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.7583              1046.8568              1083.8084
 Red. masses --      1.9263                 2.8537                 2.1334
 Frc consts  --      1.1687                 1.8426                 1.4765
 IR Inten    --      2.3007                 4.2446                52.2738
 RamAct Fr= 1--      9.8751                 0.1032                 2.1558
  Dep-P Fr= 1--      0.1993                 0.5624                 0.6518
  Dep-U Fr= 1--      0.3323                 0.7200                 0.7892
 Alpha2 Fr= 1--      0.1344                 0.0004                 0.0038
 Beta2  Fr= 1--      0.5469                 0.0124                 0.2836
 AlphaG Fr= 1--      0.0270                -0.0015                 0.0087
 Gamma2 Fr= 1--     -0.2847                 0.0197                 1.2623
 Delta2 Fr= 1--     -1.4103                 0.1314                 1.8573
 Raman1 Fr= 1--      39.500                  0.413                  8.623
 ROA1   Fr= 1--     -72.459                  6.101                180.613
 CID1   Fr= 1--      -1.834                 14.781                 20.945
 Raman2 Fr= 1--       6.563                  0.149                  3.403
 ROA2   Fr= 1--       4.449                 -0.577                 15.437
 CID2   Fr= 1--       0.678                 -3.886                  4.536
 Raman3 Fr= 1--      13.126                  0.297                  6.806
 ROA3   Fr= 1--     -72.459                  6.101                180.613
 CID3   Fr= 1--      -5.520                 20.531                 26.539
 RC180  Fr= 1--      -0.335                  0.440                  0.578
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03   0.06    -0.00  -0.07   0.19     0.01   0.01  -0.03
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.02   0.04
     3   6     0.00   0.01   0.05    -0.05   0.08  -0.19    -0.01   0.01   0.00
     4   6     0.06  -0.02  -0.04     0.04  -0.00   0.00     0.05  -0.03   0.02
     5   6     0.00   0.00   0.02    -0.01  -0.07   0.18     0.02   0.02  -0.05
     6   6    -0.03   0.02  -0.03    -0.06   0.08  -0.19    -0.05   0.02  -0.03
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.00     0.01  -0.01   0.02
     8   6     0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.00   0.03  -0.07
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.02  -0.01   0.04
    10   6    -0.00   0.00  -0.01     0.01   0.00   0.01     0.02  -0.02   0.03
    11   6     0.10   0.15  -0.02    -0.01  -0.02   0.02     0.09   0.03   0.17
    12   6    -0.07  -0.02   0.04     0.00  -0.00  -0.01    -0.01   0.08   0.04
    13   8     0.03  -0.01   0.02    -0.00   0.00  -0.01    -0.00   0.01   0.00
    14   8     0.01  -0.02  -0.02    -0.00   0.00   0.00    -0.01  -0.05  -0.09
    15   1    -0.11   0.06   0.06     0.32  -0.14   0.31     0.06   0.01  -0.01
    16   1    -0.04  -0.15   0.01     0.20   0.10  -0.37    -0.18  -0.04   0.11
    17   1    -0.02  -0.06  -0.01     0.30  -0.15   0.29     0.09  -0.02  -0.04
    18   1    -0.00   0.03  -0.05     0.20   0.12  -0.37    -0.18  -0.01   0.05
    19   1     0.03   0.03   0.00    -0.05  -0.02  -0.00    -0.25  -0.06  -0.02
    20   1    -0.03  -0.03  -0.01    -0.02  -0.00   0.00     0.25   0.07  -0.03
    21   1     0.01   0.00   0.02    -0.01  -0.02  -0.01     0.00   0.07  -0.09
    22   1     0.00  -0.00  -0.01    -0.00   0.00   0.02     0.01   0.00  -0.09
    23   1     0.00  -0.01  -0.02    -0.00  -0.01  -0.01     0.03   0.05   0.11
    24   1     0.00  -0.00  -0.00    -0.00  -0.01  -0.00     0.01   0.07   0.09
    25   1     0.00   0.02  -0.00    -0.00  -0.02  -0.00     0.00  -0.08   0.01
    26   1    -0.00   0.03  -0.01    -0.00  -0.03   0.01     0.00  -0.10   0.04
    27   1     0.00  -0.01   0.01    -0.01   0.02  -0.02    -0.01   0.03  -0.04
    28   1     0.46   0.44   0.11    -0.10  -0.07  -0.01     0.05  -0.30   0.09
    29   6    -0.12  -0.08  -0.02     0.00   0.02  -0.01    -0.06   0.02  -0.12
    30   1    -0.01  -0.04  -0.06     0.00   0.00   0.01     0.08   0.06   0.26
    31   1    -0.21  -0.26  -0.44     0.01  -0.03   0.04    -0.04  -0.25   0.06
    32   1     0.06  -0.06  -0.23     0.03   0.04   0.07     0.13   0.13   0.27
    33   1     0.22   0.16   0.08    -0.03  -0.06  -0.03    -0.18  -0.41  -0.23
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1094.9762              1103.6130              1110.5701
 Red. masses --      1.5980                 2.0149                 1.4884
 Frc consts  --      1.1288                 1.4459                 1.0816
 IR Inten    --      7.7307                38.3290                 2.1508
 RamAct Fr= 1--      3.1047                 7.6441                 3.8204
  Dep-P Fr= 1--      0.6065                 0.1829                 0.2228
  Dep-U Fr= 1--      0.7551                 0.3092                 0.3644
 Alpha2 Fr= 1--      0.0082                 0.1086                 0.0488
 Beta2  Fr= 1--      0.3907                 0.3940                 0.2320
 AlphaG Fr= 1--     -0.0160                 0.0580                -0.0214
 Gamma2 Fr= 1--     -0.2692                -2.0681                 0.6101
 Delta2 Fr= 1--      0.1380                -0.7176                 0.4897
 Raman1 Fr= 1--      12.419                 30.576                 15.281
 ROA1   Fr= 1--     -21.433               -221.498                 74.243
 CID1   Fr= 1--      -1.726                 -7.244                  4.858
 Raman2 Fr= 1--       4.689                  4.728                  2.784
 ROA2   Fr= 1--      -7.566                -43.892                 10.725
 CID2   Fr= 1--      -1.614                 -9.284                  3.852
 Raman3 Fr= 1--       9.377                  9.456                  5.568
 ROA3   Fr= 1--     -21.433               -221.498                 74.243
 CID3   Fr= 1--      -2.286                -23.425                 13.333
 RC180  Fr= 1--       0.510                 -0.382                 -0.271
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05     0.02  -0.01   0.01     0.01   0.01   0.01
     2   6     0.02  -0.01   0.04     0.02   0.02  -0.03    -0.07  -0.04  -0.01
     3   6    -0.03   0.02  -0.03     0.01   0.02  -0.02     0.02  -0.00   0.01
     4   6    -0.04  -0.04   0.03    -0.05  -0.04  -0.01    -0.01  -0.01   0.00
     5   6     0.02   0.01  -0.01    -0.03   0.01   0.02     0.02   0.01  -0.02
     6   6     0.01   0.01  -0.03     0.02  -0.02   0.03    -0.00   0.01  -0.00
     7   6     0.00  -0.02   0.04    -0.01   0.01  -0.05    -0.02   0.03   0.01
     8   6    -0.03   0.03  -0.10    -0.02  -0.04   0.09     0.13   0.02   0.00
     9   6    -0.02  -0.01   0.05     0.04   0.03  -0.04    -0.07  -0.03  -0.00
    10   6     0.05  -0.01   0.04    -0.02   0.02  -0.03    -0.07  -0.03  -0.01
    11   6    -0.02   0.09  -0.03     0.02   0.12   0.11    -0.01   0.03   0.01
    12   6    -0.02  -0.02   0.01    -0.01   0.06   0.05    -0.00   0.00   0.01
    13   8     0.02  -0.02   0.02     0.02  -0.02   0.03     0.00  -0.01   0.01
    14   8     0.01   0.00   0.01    -0.01  -0.04  -0.07    -0.00  -0.01  -0.01
    15   1     0.08   0.02  -0.03     0.06  -0.01   0.02     0.08  -0.08   0.03
    16   1    -0.11  -0.03   0.00     0.10  -0.02  -0.11     0.07  -0.01  -0.03
    17   1     0.16  -0.07   0.03    -0.10  -0.03  -0.02     0.06  -0.02  -0.01
    18   1    -0.02  -0.00  -0.01     0.02   0.00   0.05     0.04  -0.04  -0.06
    19   1    -0.33  -0.03  -0.02     0.37   0.04   0.02    -0.18  -0.10   0.00
    20   1     0.36   0.08  -0.06    -0.26  -0.03   0.07    -0.25  -0.09  -0.01
    21   1    -0.05  -0.01  -0.16    -0.05  -0.18   0.10     0.27   0.47   0.17
    22   1    -0.01   0.01  -0.06    -0.04   0.02   0.18     0.12  -0.08  -0.29
    23   1     0.01   0.06   0.13    -0.07  -0.08  -0.14     0.15   0.06   0.02
    24   1     0.01   0.06   0.08    -0.03  -0.12  -0.16     0.05   0.13   0.23
    25   1     0.00  -0.16   0.04    -0.01   0.05  -0.00     0.01   0.28  -0.09
    26   1    -0.02  -0.15   0.06    -0.03   0.10  -0.05     0.14   0.10  -0.02
    27   1    -0.05   0.09  -0.09    -0.02   0.01   0.03     0.18  -0.26   0.15
    28   1    -0.17   0.37   0.01    -0.14   0.13   0.08    -0.08   0.08   0.01
    29   6     0.06  -0.08  -0.00     0.05  -0.08  -0.09     0.02  -0.02  -0.01
    30   1    -0.04  -0.04  -0.12     0.03   0.02   0.13    -0.00  -0.01  -0.00
    31   1     0.10   0.30   0.11     0.13   0.26   0.26     0.04   0.10   0.07
    32   1    -0.28  -0.21  -0.23    -0.31  -0.20  -0.08    -0.10  -0.07  -0.04
    33   1    -0.12   0.15   0.02    -0.32  -0.11  -0.15    -0.08   0.01  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1146.2330              1161.7590              1203.1650
 Red. masses --      1.5544                 2.0634                 2.0141
 Frc consts  --      1.2032                 1.6409                 1.7178
 IR Inten    --     44.6007               147.7013                 2.7706
 RamAct Fr= 1--      1.1321                 1.3392                 8.3278
  Dep-P Fr= 1--      0.0431                 0.7469                 0.2157
  Dep-U Fr= 1--      0.0826                 0.8551                 0.3549
 Alpha2 Fr= 1--      0.0227                 0.0001                 0.1084
 Beta2  Fr= 1--      0.0156                 0.1909                 0.4925
 AlphaG Fr= 1--      0.0331                -0.0014                 0.0092
 Gamma2 Fr= 1--     -0.2486                -1.7870                 0.5515
 Delta2 Fr= 1--     -0.2042                -0.8928                -0.0802
 Raman1 Fr= 1--       4.528                  5.357                 33.311
 ROA1   Fr= 1--     -30.403               -200.125                 50.381
 CID1   Fr= 1--      -6.714                -37.360                  1.512
 Raman2 Fr= 1--       0.187                  2.290                  5.911
 ROA2   Fr= 1--      -4.334                -35.746                 13.879
 CID2   Fr= 1--     -23.183                -15.608                  2.348
 Raman3 Fr= 1--       0.374                  4.581                 11.821
 ROA3   Fr= 1--     -30.403               -200.125                 50.381
 CID3   Fr= 1--     -81.322                -43.690                  4.262
 RC180  Fr= 1--      -0.835                  0.710                 -0.290
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.02    -0.05   0.00   0.02    -0.02  -0.01   0.01
     2   6    -0.00   0.01  -0.02    -0.00   0.00  -0.01    -0.07   0.03   0.02
     3   6     0.06  -0.01   0.01     0.05  -0.00  -0.00     0.03  -0.01   0.01
     4   6    -0.05   0.02  -0.03     0.05  -0.02  -0.01     0.03  -0.00  -0.00
     5   6    -0.06  -0.01   0.04    -0.04   0.01  -0.01     0.02   0.00  -0.02
     6   6     0.08  -0.01   0.01     0.03  -0.00  -0.01    -0.02   0.00  -0.01
     7   6     0.00  -0.02   0.05     0.00  -0.01   0.01    -0.00  -0.07  -0.02
     8   6    -0.00   0.02  -0.05    -0.00   0.01  -0.01    -0.08   0.17   0.08
     9   6    -0.02  -0.01   0.02    -0.00  -0.00   0.01     0.07  -0.10  -0.02
    10   6     0.02  -0.01   0.02     0.01  -0.00   0.00     0.07  -0.08  -0.07
    11   6    -0.01  -0.01  -0.01     0.03   0.03   0.12    -0.02   0.00  -0.00
    12   6     0.02   0.08   0.04    -0.02  -0.14  -0.09     0.00   0.01   0.00
    13   8     0.01  -0.01   0.02    -0.02   0.03  -0.05     0.00  -0.00   0.00
    14   8    -0.02  -0.03  -0.07     0.03   0.04   0.12    -0.00  -0.00  -0.01
    15   1    -0.39   0.09  -0.10    -0.30   0.06  -0.07     0.05  -0.01   0.05
    16   1     0.35   0.04  -0.20     0.24   0.01  -0.14     0.05  -0.00   0.00
    17   1    -0.34   0.07  -0.05    -0.36   0.07  -0.13     0.02   0.01  -0.03
    18   1     0.46   0.03  -0.26     0.18   0.02  -0.11     0.05   0.03  -0.05
    19   1    -0.15   0.04   0.00    -0.03   0.02   0.00     0.08   0.03  -0.02
    20   1     0.12  -0.03  -0.06     0.04  -0.01  -0.02     0.08   0.01   0.02
    21   1    -0.00   0.05  -0.10    -0.01   0.01  -0.03    -0.03   0.35   0.13
    22   1     0.01  -0.01  -0.05    -0.00   0.00  -0.01    -0.14   0.12  -0.20
    23   1     0.02   0.03   0.06     0.00   0.01   0.02    -0.10   0.11   0.34
    24   1     0.01   0.05   0.07     0.00   0.01   0.01     0.02   0.09  -0.39
    25   1     0.00  -0.06   0.01     0.00  -0.02   0.01     0.10  -0.19   0.34
    26   1    -0.00  -0.07   0.03    -0.00  -0.02   0.01    -0.16   0.29  -0.15
    27   1    -0.01   0.03  -0.03    -0.01   0.01  -0.00    -0.08  -0.05   0.25
    28   1     0.14  -0.18  -0.02    -0.20   0.25   0.13    -0.06   0.00  -0.01
    29   6     0.01  -0.01   0.02    -0.01   0.02  -0.09     0.01  -0.00   0.01
    30   1     0.05   0.07   0.24    -0.10  -0.13  -0.45     0.00   0.01   0.02
    31   1     0.01   0.04  -0.00     0.02  -0.07   0.14     0.01   0.02   0.00
    32   1    -0.03  -0.04  -0.04     0.02   0.07   0.18    -0.02  -0.01  -0.01
    33   1     0.02   0.05   0.03    -0.17  -0.25  -0.17    -0.01   0.02   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1213.3323              1223.5745              1236.6323
 Red. masses --      1.3015                 2.0250                 2.4786
 Frc consts  --      1.1289                 1.7862                 2.2332
 IR Inten    --      3.8660                 5.7782                 6.1439
 RamAct Fr= 1--     50.6040                43.1905                35.9231
  Dep-P Fr= 1--      0.1112                 0.1906                 0.1758
  Dep-U Fr= 1--      0.2001                 0.3202                 0.2990
 Alpha2 Fr= 1--      0.8620                 0.6013                 0.5198
 Beta2  Fr= 1--      1.6876                 2.3047                 1.7901
 AlphaG Fr= 1--     -0.3274                -0.0700                -0.1339
 Gamma2 Fr= 1--     -4.6250                -0.8636                 0.3664
 Delta2 Fr= 1--      0.6497                -0.2810                 0.3421
 Raman1 Fr= 1--     202.416                172.762                143.692
 ROA1   Fr= 1--    -423.212                -91.900                 46.123
 CID1   Fr= 1--      -2.091                 -0.532                  0.321
 Raman2 Fr= 1--      20.252                 27.656                 21.481
 ROA2   Fr= 1--    -116.198                -18.478                  6.058
 CID2   Fr= 1--      -5.738                 -0.668                  0.282
 Raman3 Fr= 1--      40.503                 55.313                 42.962
 ROA3   Fr= 1--    -423.212                -91.900                 46.123
 CID3   Fr= 1--     -10.449                 -1.661                  1.074
 RC180  Fr= 1--      -0.600                 -0.360                 -0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.04    -0.10   0.00   0.04     0.03  -0.00  -0.01
     2   6     0.04  -0.00  -0.01    -0.04   0.00   0.02     0.28  -0.04  -0.03
     3   6     0.01   0.01  -0.03     0.08  -0.00  -0.03    -0.07   0.03  -0.05
     4   6    -0.11   0.01   0.00     0.21  -0.03  -0.01     0.06  -0.01   0.01
     5   6     0.02  -0.02   0.04     0.06  -0.00  -0.02    -0.07  -0.01   0.05
     6   6    -0.00  -0.02   0.05    -0.08   0.02  -0.02     0.04   0.00  -0.03
     7   6    -0.02  -0.00   0.00     0.03   0.01  -0.01    -0.12   0.01   0.01
     8   6     0.00   0.02   0.01     0.00  -0.03  -0.01     0.02   0.08   0.05
     9   6     0.00  -0.01  -0.00    -0.00   0.02   0.00     0.01  -0.03  -0.01
    10   6     0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.01  -0.03  -0.02
    11   6     0.05   0.00   0.00    -0.09  -0.00  -0.01     0.01  -0.01  -0.01
    12   6    -0.00  -0.01  -0.01    -0.00   0.02   0.02    -0.01   0.00   0.01
    13   8    -0.00   0.01  -0.01     0.01  -0.01   0.02     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.00  -0.03    -0.00   0.00  -0.01
    15   1    -0.34   0.10  -0.17    -0.51   0.10  -0.11    -0.29   0.09  -0.13
    16   1     0.38   0.06  -0.30     0.24   0.02  -0.13    -0.31  -0.00   0.11
    17   1     0.52  -0.15   0.23     0.07   0.00  -0.03    -0.38   0.07  -0.06
    18   1    -0.29  -0.06   0.26    -0.42  -0.03   0.22    -0.24  -0.04   0.20
    19   1    -0.04   0.01  -0.00     0.04   0.00  -0.00    -0.42  -0.14  -0.02
    20   1    -0.05  -0.01   0.01     0.07   0.03   0.01    -0.28  -0.04   0.04
    21   1     0.00   0.03   0.00     0.00  -0.04   0.01    -0.00  -0.03   0.08
    22   1    -0.01   0.01  -0.04     0.01  -0.01   0.04    -0.01   0.02  -0.11
    23   1     0.00   0.01   0.03    -0.00  -0.02  -0.05     0.01   0.02   0.06
    24   1     0.00   0.02  -0.02    -0.01  -0.03   0.03     0.01   0.04  -0.08
    25   1     0.01  -0.01   0.03    -0.01   0.02  -0.04     0.02   0.05   0.07
    26   1    -0.00   0.03  -0.01     0.01  -0.03   0.02     0.01   0.09  -0.04
    27   1     0.00  -0.02   0.03     0.01   0.01  -0.03     0.02  -0.09   0.11
    28   1     0.24  -0.03   0.03    -0.48   0.05  -0.07    -0.18   0.03  -0.03
    29   6    -0.01   0.00  -0.02     0.02  -0.01   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.02  -0.07     0.03   0.05   0.17     0.02   0.03   0.09
    31   1    -0.00  -0.03   0.02     0.01   0.05  -0.02    -0.02  -0.02  -0.04
    32   1     0.03   0.03   0.04    -0.07  -0.05  -0.06     0.01  -0.00  -0.03
    33   1     0.01  -0.04  -0.02    -0.01   0.09   0.05     0.02   0.01   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1244.6636              1280.6688              1309.6786
 Red. masses --      1.3864                 1.7431                 1.5941
 Frc consts  --      1.2654                 1.6844                 1.6110
 IR Inten    --      0.5742                 2.8847                 4.7985
 RamAct Fr= 1--      5.5144                 4.5758                 7.0773
  Dep-P Fr= 1--      0.7431                 0.5349                 0.4598
  Dep-U Fr= 1--      0.8526                 0.6970                 0.6299
 Alpha2 Fr= 1--      0.0006                 0.0190                 0.0417
 Beta2  Fr= 1--      0.7836                 0.5316                 0.7430
 AlphaG Fr= 1--      0.0144                 0.0082                -0.0474
 Gamma2 Fr= 1--      0.6872                 0.6384                -2.6465
 Delta2 Fr= 1--     -0.0747                -0.3343                 1.5716
 Raman1 Fr= 1--      22.058                 18.303                 28.309
 ROA1   Fr= 1--      63.585                 50.585               -203.772
 CID1   Fr= 1--       2.883                  2.764                 -7.198
 Raman2 Fr= 1--       9.403                  6.379                  8.916
 ROA2   Fr= 1--      17.091                 17.996                -76.089
 CID2   Fr= 1--       1.818                  2.821                 -8.534
 Raman3 Fr= 1--      18.807                 12.757                 17.833
 ROA3   Fr= 1--      63.585                 50.585               -203.772
 CID3   Fr= 1--       3.381                  3.965                -11.427
 RC180  Fr= 1--       0.705                  0.394                  0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02  -0.04     0.02  -0.01   0.03     0.03  -0.01   0.02
     2   6    -0.02  -0.02   0.08     0.01   0.00  -0.02    -0.00   0.00  -0.03
     3   6     0.02   0.00  -0.02    -0.01  -0.01   0.03    -0.02  -0.01   0.03
     4   6    -0.02  -0.01   0.04     0.07   0.03  -0.12     0.01   0.03  -0.08
     5   6    -0.02   0.01  -0.02     0.03  -0.02   0.04     0.02  -0.01   0.02
     6   6     0.02   0.01  -0.03    -0.04   0.00   0.01    -0.03  -0.00   0.02
     7   6     0.00   0.02  -0.04    -0.00   0.00   0.00     0.02   0.01   0.01
     8   6     0.01  -0.04   0.09    -0.00  -0.00   0.01    -0.02  -0.02  -0.00
     9   6     0.05   0.02  -0.03     0.01   0.00  -0.00     0.01   0.00  -0.00
    10   6    -0.05   0.01  -0.02    -0.01   0.00  -0.00     0.00   0.01   0.00
    11   6     0.03  -0.00  -0.01    -0.14   0.06   0.04    -0.07  -0.06   0.00
    12   6    -0.01  -0.00   0.00     0.05   0.05   0.02     0.00  -0.10  -0.06
    13   8     0.00  -0.00   0.00    -0.02   0.01  -0.04     0.02   0.00   0.05
    14   8     0.00   0.00  -0.00     0.01  -0.03   0.03    -0.02   0.05  -0.03
    15   1    -0.07   0.02  -0.05    -0.22   0.05  -0.05    -0.13   0.02  -0.04
    16   1     0.03   0.01  -0.02    -0.23  -0.04   0.19    -0.12  -0.02   0.10
    17   1     0.07  -0.01   0.01     0.10  -0.04   0.06     0.11  -0.03   0.06
    18   1     0.16   0.03  -0.13     0.04   0.01  -0.05     0.08   0.00  -0.06
    19   1    -0.38  -0.31  -0.05    -0.16  -0.07  -0.01    -0.15  -0.07  -0.01
    20   1     0.46   0.31   0.08     0.10   0.05   0.01    -0.01  -0.02  -0.02
    21   1     0.05  -0.17   0.44     0.01  -0.04   0.11     0.02   0.06   0.09
    22   1    -0.02   0.02   0.11    -0.01   0.01   0.02    -0.01   0.01   0.03
    23   1    -0.06  -0.05  -0.08    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
    24   1    -0.02  -0.11  -0.16    -0.00  -0.02  -0.03    -0.00  -0.02  -0.04
    25   1    -0.01   0.18  -0.06    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
    26   1     0.04   0.08  -0.03     0.01   0.01  -0.00    -0.02  -0.02   0.00
    27   1     0.03  -0.07   0.05     0.01  -0.02   0.01    -0.01   0.01  -0.00
    28   1    -0.00   0.02  -0.01     0.51  -0.39   0.05     0.31   0.49   0.20
    29   6    -0.01   0.00   0.00     0.05  -0.02  -0.01     0.03   0.03  -0.05
    30   1     0.01   0.01   0.02    -0.10  -0.16  -0.43     0.10   0.21   0.57
    31   1    -0.02  -0.02  -0.02     0.06   0.11   0.06     0.07   0.02   0.15
    32   1     0.03   0.01  -0.01    -0.14  -0.07   0.01    -0.02   0.05   0.15
    33   1     0.03   0.00   0.01    -0.15   0.02  -0.03    -0.09  -0.09  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1309.8917              1349.7126              1366.3219
 Red. masses --      1.5336                 2.2388                 1.4489
 Frc consts  --      1.5504                 2.4029                 1.5937
 IR Inten    --      8.2508                 0.1937                 0.1345
 RamAct Fr= 1--     30.0895                 2.2362                 1.3216
  Dep-P Fr= 1--      0.2789                 0.6111                 0.5435
  Dep-U Fr= 1--      0.4362                 0.7586                 0.7042
 Alpha2 Fr= 1--      0.3284                 0.0057                 0.0052
 Beta2  Fr= 1--      2.1876                 0.2827                 0.1551
 AlphaG Fr= 1--     -0.1392                 0.0261                 0.0013
 Gamma2 Fr= 1--     -1.2956                 4.8916                 0.5942
 Delta2 Fr= 1--     -0.9472                 2.5898                 0.1708
 Raman1 Fr= 1--     120.358                  8.945                  5.286
 ROA1   Fr= 1--    -154.688                552.469                 62.510
 CID1   Fr= 1--      -1.285                 61.765                 11.825
 Raman2 Fr= 1--      26.251                  3.393                  1.861
 ROA2   Fr= 1--     -23.516                 96.680                 12.894
 CID2   Fr= 1--      -0.896                 28.495                  6.927
 Raman3 Fr= 1--      52.501                  6.786                  3.723
 ROA3   Fr= 1--    -154.688                552.469                 62.510
 CID3   Fr= 1--      -2.946                 81.416                 16.792
 RC180  Fr= 1--      -0.128                  0.517                  0.408
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.01    -0.09   0.02  -0.03    -0.08   0.02  -0.02
     2   6    -0.01  -0.03  -0.01     0.02  -0.07   0.17    -0.00   0.01  -0.02
     3   6     0.00   0.00  -0.00     0.11   0.01  -0.08     0.02  -0.00  -0.01
     4   6    -0.01  -0.01   0.02     0.03  -0.03   0.07     0.03  -0.04   0.10
     5   6    -0.00   0.00  -0.00    -0.12   0.03  -0.05    -0.01  -0.00   0.00
     6   6     0.01   0.01  -0.00     0.07   0.01  -0.06     0.07   0.01  -0.05
     7   6     0.10   0.08   0.02    -0.00   0.01  -0.04     0.00  -0.01   0.02
     8   6    -0.10  -0.09  -0.02     0.01  -0.03   0.07    -0.01   0.02  -0.05
     9   6     0.05   0.03   0.00    -0.03   0.01  -0.00     0.02  -0.01   0.01
    10   6     0.06   0.03   0.00     0.03  -0.00  -0.02    -0.01   0.00   0.01
    11   6     0.02   0.01  -0.00    -0.06  -0.02  -0.01    -0.08  -0.02  -0.02
    12   6    -0.00   0.02   0.01     0.01   0.00   0.00     0.01   0.02   0.01
    13   8    -0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00  -0.01   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.02  -0.03  -0.01    -0.15   0.03  -0.05     0.37  -0.10   0.15
    16   1     0.03   0.00  -0.03    -0.30  -0.04   0.22     0.23   0.03  -0.15
    17   1    -0.02   0.00  -0.01     0.30  -0.08   0.11    -0.29   0.08  -0.09
    18   1    -0.03  -0.03   0.01     0.11   0.02  -0.09    -0.36  -0.05   0.26
    19   1    -0.40  -0.26  -0.01     0.25   0.02   0.01    -0.02   0.04   0.00
    20   1    -0.43  -0.24  -0.09    -0.24  -0.04   0.05     0.01  -0.03  -0.02
    21   1     0.07   0.51   0.17    -0.06   0.19  -0.49     0.03  -0.10   0.25
    22   1    -0.05   0.06   0.12     0.06  -0.05  -0.05    -0.04   0.03   0.01
    23   1    -0.14  -0.06  -0.03     0.05  -0.02  -0.08    -0.03   0.01   0.05
    24   1    -0.02  -0.12  -0.13    -0.02  -0.01   0.06     0.01   0.01  -0.02
    25   1    -0.01  -0.18   0.02     0.03  -0.03   0.05    -0.02   0.01  -0.02
    26   1    -0.14  -0.08   0.00    -0.06   0.06  -0.04     0.04  -0.04   0.02
    27   1    -0.07   0.12  -0.04    -0.07   0.06   0.01     0.04  -0.03  -0.02
    28   1    -0.05  -0.07  -0.03     0.35   0.09   0.09     0.52   0.12   0.12
    29   6    -0.01  -0.00   0.01     0.02   0.01  -0.01     0.02   0.01  -0.02
    30   1    -0.02  -0.03  -0.09    -0.00   0.00   0.02    -0.01  -0.01  -0.02
    31   1    -0.01  -0.01  -0.03     0.02   0.01   0.02     0.04   0.02   0.07
    32   1     0.01  -0.01  -0.02    -0.03   0.01   0.04    -0.03   0.02   0.09
    33   1     0.02   0.01   0.02    -0.07  -0.02  -0.03    -0.06  -0.00  -0.04
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1375.3912              1388.1135              1392.4912
 Red. masses --      1.3962                 1.3599                 1.9815
 Frc consts  --      1.5562                 1.5439                 2.2638
 IR Inten    --      0.5239                10.5525                39.1550
 RamAct Fr= 1--      1.6842                10.5192                 5.9031
  Dep-P Fr= 1--      0.7492                 0.3454                 0.7435
  Dep-U Fr= 1--      0.8566                 0.5135                 0.8529
 Alpha2 Fr= 1--      0.0000                 0.0937                 0.0007
 Beta2  Fr= 1--      0.2404                 0.9002                 0.8391
 AlphaG Fr= 1--     -0.0018                -0.0122                -0.0103
 Gamma2 Fr= 1--      0.1456                -1.3890                 2.6724
 Delta2 Fr= 1--     -0.1383                -0.4215                -1.1363
 Raman1 Fr= 1--       6.737                 42.077                 23.613
 ROA1   Fr= 1--       9.548               -146.833                220.193
 CID1   Fr= 1--       1.417                 -3.490                  9.325
 Raman2 Fr= 1--       2.885                 10.802                 10.069
 ROA2   Fr= 1--       4.600                -29.964                 73.229
 CID2   Fr= 1--       1.594                 -2.774                  7.272
 Raman3 Fr= 1--       5.771                 21.604                 20.139
 ROA3   Fr= 1--       9.548               -146.833                220.193
 CID3   Fr= 1--       1.655                 -6.796                 10.934
 RC180  Fr= 1--       0.713                  0.027                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.02  -0.01   0.01     0.03  -0.01   0.01
     2   6     0.01  -0.02   0.05     0.04   0.01  -0.00    -0.01  -0.00   0.00
     3   6     0.04   0.00  -0.03    -0.01   0.00  -0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.02  -0.01
     5   6    -0.05   0.01  -0.02    -0.01  -0.00   0.01     0.02  -0.00  -0.01
     6   6     0.01  -0.00   0.00     0.01   0.00  -0.01    -0.04  -0.00   0.02
     7   6     0.00  -0.00   0.01    -0.12  -0.03   0.00     0.02   0.01  -0.00
     8   6    -0.02   0.05  -0.14    -0.00  -0.10  -0.04     0.00   0.02   0.01
     9   6     0.04  -0.03  -0.00     0.02   0.01  -0.02    -0.00  -0.00   0.00
    10   6    -0.03   0.02   0.03     0.03  -0.01   0.02    -0.01   0.00  -0.01
    11   6     0.01   0.00   0.01     0.00  -0.02  -0.00     0.02  -0.17  -0.03
    12   6    -0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.03   0.18   0.11
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.02  -0.03
    14   8     0.00   0.00   0.00     0.00  -0.01  -0.00     0.01  -0.06  -0.01
    15   1    -0.14   0.04  -0.04    -0.06   0.02  -0.02    -0.11   0.03  -0.04
    16   1    -0.19  -0.02   0.14    -0.05   0.00   0.02    -0.01   0.01   0.00
    17   1     0.22  -0.06   0.08    -0.05   0.01  -0.00     0.02   0.02   0.00
    18   1     0.14   0.01  -0.09    -0.04   0.00   0.03     0.09   0.01  -0.08
    19   1     0.25   0.16   0.02     0.28   0.31   0.02    -0.03  -0.05  -0.00
    20   1    -0.25  -0.15  -0.03     0.30   0.27   0.13    -0.06  -0.04  -0.02
    21   1     0.08  -0.23   0.62     0.21   0.63   0.21    -0.03  -0.10  -0.04
    22   1    -0.13   0.07   0.12    -0.02  -0.02   0.16     0.00  -0.00  -0.02
    23   1    -0.07   0.07   0.18    -0.08   0.05   0.09     0.01  -0.00  -0.01
    24   1     0.06   0.07   0.02     0.03  -0.07   0.09    -0.00   0.01  -0.01
    25   1    -0.06  -0.07  -0.02     0.00   0.01  -0.11    -0.00  -0.02   0.03
    26   1     0.10  -0.17   0.07    -0.09   0.09  -0.02     0.02  -0.03   0.01
    27   1     0.15  -0.12   0.01    -0.05   0.09  -0.12     0.02  -0.03   0.04
    28   1    -0.09  -0.02  -0.02    -0.00   0.08   0.02    -0.06   0.73   0.18
    29   6    -0.00   0.00   0.01     0.00   0.01  -0.00     0.01   0.06  -0.02
    30   1     0.00   0.00   0.00    -0.01  -0.02  -0.05    -0.08  -0.16  -0.40
    31   1    -0.01  -0.01  -0.03     0.00  -0.02   0.01     0.03  -0.17   0.10
    32   1     0.00  -0.01  -0.03    -0.00   0.00  -0.00    -0.06   0.03   0.01
    33   1    -0.00  -0.01   0.00     0.00  -0.03  -0.01     0.02  -0.20  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1405.4429              1416.1171              1425.0873
 Red. masses --      1.2778                 1.2210                 1.2483
 Frc consts  --      1.4871                 1.4426                 1.4937
 IR Inten    --      8.5200                10.7377                 8.3353
 RamAct Fr= 1--      0.0289                 1.1829                 2.4708
  Dep-P Fr= 1--      0.7500                 0.5676                 0.5638
  Dep-U Fr= 1--      0.8571                 0.7242                 0.7211
 Alpha2 Fr= 1--      0.0000                 0.0041                 0.0087
 Beta2  Fr= 1--      0.0041                 0.1428                 0.2969
 AlphaG Fr= 1--      0.0000                 0.0022                -0.0038
 Gamma2 Fr= 1--      0.0663                -0.1091                 0.0420
 Delta2 Fr= 1--      0.0350                 0.1098                 0.0738
 Raman1 Fr= 1--       0.116                  4.732                  9.883
 ROA1   Fr= 1--       7.490                 -6.956                  6.390
 CID1   Fr= 1--      64.789                 -1.470                  0.647
 Raman2 Fr= 1--       0.050                  1.713                  3.563
 ROA2   Fr= 1--       1.312                 -3.496                  0.417
 CID2   Fr= 1--      26.479                 -2.041                  0.117
 Raman3 Fr= 1--       0.099                  3.427                  7.127
 ROA3   Fr= 1--       7.490                 -6.956                  6.390
 CID3   Fr= 1--      75.587                 -2.030                  0.897
 RC180  Fr= 1--       0.714                  0.448                  0.442
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01  -0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.01     0.01  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.01  -0.00   0.00     0.01  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.04   0.01  -0.00
     8   6     0.01  -0.02   0.05    -0.00   0.00  -0.00    -0.00   0.03   0.01
     9   6    -0.00  -0.01  -0.10     0.00  -0.00   0.00     0.00  -0.03  -0.09
    10   6    -0.02   0.08  -0.07     0.00  -0.00   0.00     0.02  -0.08   0.05
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.02    -0.00   0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    15   1     0.02  -0.00   0.00    -0.05   0.01  -0.02     0.01  -0.01   0.00
    16   1     0.03   0.01  -0.03    -0.04  -0.01   0.01     0.01   0.00  -0.00
    17   1    -0.04   0.01  -0.02    -0.01   0.00  -0.01     0.01  -0.00   0.00
    18   1    -0.02   0.00   0.01     0.02   0.01  -0.02     0.01  -0.00  -0.01
    19   1    -0.05  -0.05  -0.01     0.02   0.01   0.00    -0.12  -0.05  -0.02
    20   1     0.06   0.05   0.02    -0.02  -0.01   0.00    -0.12  -0.06   0.00
    21   1    -0.02   0.06  -0.15     0.00  -0.00   0.01    -0.05  -0.14  -0.04
    22   1    -0.09  -0.08   0.38    -0.00   0.00  -0.01    -0.16  -0.03   0.36
    23   1    -0.06   0.23   0.29     0.00  -0.01  -0.01    -0.06   0.22   0.30
    24   1     0.12   0.02   0.40    -0.00   0.00  -0.01     0.15   0.10   0.37
    25   1    -0.04  -0.28   0.30    -0.00   0.00  -0.01     0.08   0.33  -0.23
    26   1     0.10  -0.36   0.04    -0.00   0.01  -0.00    -0.10   0.36  -0.06
    27   1     0.17  -0.18   0.30    -0.00   0.00  -0.01    -0.23   0.20  -0.24
    28   1     0.03  -0.01   0.00    -0.02   0.05   0.01    -0.00   0.01   0.00
    29   6    -0.00  -0.00  -0.00    -0.06  -0.09  -0.08     0.00   0.00  -0.00
    30   1     0.00   0.00   0.01    -0.01  -0.02  -0.05    -0.00  -0.00  -0.00
    31   1     0.00   0.02   0.01     0.06   0.38   0.37     0.00  -0.00   0.00
    32   1     0.01   0.00   0.02     0.37   0.16   0.44    -0.00  -0.00   0.00
    33   1     0.01   0.02   0.00     0.31   0.47   0.12     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.8896              1489.3062              1489.9087
 Red. masses --      2.4729                 1.0407                 1.0977
 Frc consts  --      3.1095                 1.3600                 1.4357
 IR Inten    --      9.1165                 2.6528                 3.3687
 RamAct Fr= 1--      0.3595                 7.3182                12.4485
  Dep-P Fr= 1--      0.5902                 0.7500                 0.7200
  Dep-U Fr= 1--      0.7423                 0.8571                 0.8372
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0064
 Beta2  Fr= 1--      0.0445                 1.0454                 1.7369
 AlphaG Fr= 1--      0.0177                -0.0007                -0.0054
 Gamma2 Fr= 1--     -0.7861                -0.0873                -0.3566
 Delta2 Fr= 1--     -0.3601                -0.1147                 0.1784
 Raman1 Fr= 1--       1.438                 29.273                 49.794
 ROA1   Fr= 1--     -86.986                -12.051                -28.527
 CID1   Fr= 1--     -60.490                 -0.412                 -0.573
 Raman2 Fr= 1--       0.534                 12.545                 20.843
 ROA2   Fr= 1--     -15.984                 -1.177                 -9.986
 CID2   Fr= 1--     -29.948                 -0.094                 -0.479
 Raman3 Fr= 1--       1.067                 25.091                 41.687
 ROA3   Fr= 1--     -86.986                -12.051                -28.527
 CID3   Fr= 1--     -81.490                 -0.480                 -0.684
 RC180  Fr= 1--       0.485                  0.714                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.00  -0.05    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02  -0.05   0.14    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     3   6    -0.14   0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02  -0.05   0.14     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.14  -0.00  -0.05    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.14   0.02  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.00   0.01  -0.04     0.00  -0.00   0.00     0.06  -0.05  -0.03
     8   6    -0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.01   0.00   0.00
     9   6     0.00  -0.01   0.01    -0.04  -0.01   0.00    -0.01   0.01   0.00
    10   6     0.00   0.00   0.01     0.04   0.01  -0.00    -0.01   0.01   0.01
    11   6    -0.04   0.03  -0.03    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   6     0.00  -0.02  -0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.01   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    15   1    -0.29   0.12  -0.22     0.01   0.00   0.01     0.02  -0.00   0.01
    16   1     0.24   0.08  -0.30    -0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.32   0.13  -0.23     0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.22   0.08  -0.29    -0.01  -0.01   0.01     0.02   0.00  -0.01
    19   1     0.21   0.04   0.01    -0.00   0.00  -0.00    -0.34   0.50  -0.20
    20   1    -0.21  -0.05   0.03    -0.00   0.00  -0.00    -0.25   0.22   0.54
    21   1     0.00  -0.01   0.03     0.01  -0.03   0.06    -0.02  -0.04  -0.01
    22   1    -0.04   0.03   0.00     0.17  -0.23   0.25     0.16  -0.13   0.03
    23   1     0.03  -0.02  -0.03     0.46   0.19   0.04     0.09   0.08   0.06
    24   1     0.01   0.07  -0.02    -0.06   0.14  -0.28    -0.06  -0.11  -0.09
    25   1    -0.02  -0.04  -0.06    -0.01   0.09  -0.31    -0.05  -0.15   0.01
    26   1    -0.04   0.03  -0.00    -0.46  -0.20  -0.01     0.08   0.11  -0.01
    27   1     0.04  -0.02  -0.03    -0.10  -0.01   0.37     0.14  -0.07  -0.14
    28   1     0.35  -0.08   0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.01   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00   0.01   0.04     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.07    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    32   1    -0.03  -0.01   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    33   1    -0.09   0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1871              1497.8501              1498.8889
 Red. masses --      1.0465                 1.0562                 1.0551
 Frc consts  --      1.3729                 1.3962                 1.3967
 IR Inten    --      4.7295                 0.2316                 8.4952
 RamAct Fr= 1--      5.1928                 0.8253                 4.1723
  Dep-P Fr= 1--      0.6081                 0.7357                 0.6293
  Dep-U Fr= 1--      0.7563                 0.8477                 0.7725
 Alpha2 Fr= 1--      0.0136                 0.0002                 0.0092
 Beta2  Fr= 1--      0.6545                 0.1166                 0.5372
 AlphaG Fr= 1--      0.0094                -0.0045                 0.0652
 Gamma2 Fr= 1--     -0.6129                 0.7478                 0.2399
 Delta2 Fr= 1--     -1.1670                 0.5712                 1.0233
 Raman1 Fr= 1--      20.771                  3.301                 16.689
 ROA1   Fr= 1--     -96.181                 90.072                 55.772
 CID1   Fr= 1--      -4.630                 27.285                  3.342
 Raman2 Fr= 1--       7.855                  1.399                  6.446
 ROA2   Fr= 1--      -5.373                 13.379                 -2.430
 CID2   Fr= 1--      -0.684                  9.562                 -0.377
 Raman3 Fr= 1--      15.709                  2.798                 12.892
 ROA3   Fr= 1--     -96.181                 90.072                 55.772
 CID3   Fr= 1--      -6.123                 32.187                  4.326
 RC180  Fr= 1--       0.513                  0.695                  0.545
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00  -0.00     0.00  -0.01   0.03    -0.00   0.00  -0.01
     9   6    -0.00   0.00  -0.00     0.00  -0.04   0.00    -0.00   0.01  -0.00
    10   6     0.00   0.00   0.00     0.00   0.03   0.03    -0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00   0.00    -0.01   0.03  -0.01
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.02  -0.00   0.00     0.02  -0.00   0.01    -0.01   0.00  -0.01
    16   1     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01  -0.01  -0.00
    17   1     0.03  -0.01   0.01     0.00  -0.00   0.01    -0.01   0.00  -0.01
    18   1     0.02   0.00  -0.01    -0.02  -0.01   0.01    -0.00   0.00  -0.01
    19   1    -0.00   0.00   0.00    -0.04  -0.03  -0.00     0.01   0.01  -0.00
    20   1    -0.00   0.00   0.00     0.04   0.03   0.00    -0.02  -0.00   0.01
    21   1     0.00   0.00   0.00    -0.01   0.03  -0.07     0.00  -0.00   0.01
    22   1     0.01  -0.00   0.00    -0.34   0.21   0.09     0.06  -0.04  -0.01
    23   1     0.00   0.00   0.00     0.14  -0.12  -0.21    -0.02   0.02   0.03
    24   1    -0.00  -0.00  -0.00     0.13   0.46   0.00    -0.02  -0.07  -0.00
    25   1    -0.00  -0.00  -0.00    -0.16  -0.36  -0.28     0.03   0.06   0.05
    26   1    -0.00   0.00  -0.00    -0.17   0.22  -0.04     0.03  -0.04   0.01
    27   1     0.00  -0.00  -0.00     0.34  -0.19  -0.14    -0.05   0.03   0.02
    28   1    -0.06  -0.02  -0.04    -0.01  -0.01  -0.01     0.02  -0.09  -0.03
    29   6     0.04   0.00  -0.03    -0.00   0.01  -0.00    -0.02   0.03  -0.02
    30   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.02
    31   1    -0.02  -0.47  -0.10     0.01  -0.06   0.09     0.08  -0.33   0.56
    32   1    -0.47  -0.07   0.52    -0.05  -0.02  -0.03    -0.32  -0.11  -0.20
    33   1    -0.16   0.49   0.07     0.10  -0.02   0.01     0.61  -0.12   0.05
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1508.7614              1512.7155              1551.9124
 Red. masses --      1.0507                 1.0555                 2.4269
 Frc consts  --      1.4092                 1.4231                 3.4438
 IR Inten    --     11.7928                10.7917                22.8198
 RamAct Fr= 1--      0.7369                 2.9550                 0.3782
  Dep-P Fr= 1--      0.5417                 0.6870                 0.7253
  Dep-U Fr= 1--      0.7027                 0.8145                 0.8408
 Alpha2 Fr= 1--      0.0030                 0.0033                 0.0002
 Beta2  Fr= 1--      0.0863                 0.4011                 0.0530
 AlphaG Fr= 1--      0.0031                -0.0002                 0.0007
 Gamma2 Fr= 1--      0.0761                 0.1016                 0.3227
 Delta2 Fr= 1--      0.0387                 0.1798                 0.1753
 Raman1 Fr= 1--       2.948                 11.820                  1.513
 ROA1   Fr= 1--       8.547                 15.511                 36.593
 CID1   Fr= 1--       2.899                  1.312                 24.191
 Raman2 Fr= 1--       1.036                  4.814                  0.636
 ROA2   Fr= 1--       1.517                  1.001                  6.343
 CID2   Fr= 1--       1.465                  0.208                  9.975
 Raman3 Fr= 1--       2.071                  9.627                  1.272
 ROA3   Fr= 1--       8.547                 15.511                 36.593
 CID3   Fr= 1--       4.126                  1.611                 28.771
 RC180  Fr= 1--       0.405                  0.629                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     2   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.02
     3   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.09  -0.03   0.11
     4   6    -0.01   0.00   0.00    -0.00   0.00   0.00     0.15  -0.01  -0.02
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.10   0.04  -0.08
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.08  -0.03   0.10
     7   6     0.02  -0.02  -0.01     0.01  -0.00  -0.00    -0.03   0.00   0.00
     8   6     0.03  -0.01  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     9   6     0.03  -0.01   0.01    -0.01  -0.03   0.01     0.00  -0.00   0.00
    10   6     0.02   0.00  -0.02    -0.02  -0.01  -0.03     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.03  -0.00   0.01
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
    13   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.00   0.00   0.00    -0.01  -0.00  -0.01     0.44  -0.09   0.10
    16   1    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.42   0.03  -0.25
    17   1    -0.01   0.00  -0.00    -0.01   0.00  -0.00     0.42  -0.09   0.10
    18   1    -0.00   0.00   0.00    -0.01  -0.01   0.00     0.39   0.03  -0.22
    19   1    -0.12   0.23  -0.08    -0.03   0.07  -0.02    -0.04   0.03  -0.00
    20   1    -0.08   0.11   0.23    -0.02   0.03   0.07    -0.04   0.01   0.03
    21   1     0.02  -0.05  -0.02     0.02   0.07   0.03     0.01   0.05   0.02
    22   1    -0.29   0.29  -0.18    -0.19   0.06   0.22    -0.02   0.02   0.01
    23   1    -0.29  -0.23  -0.15     0.36  -0.02  -0.18    -0.00  -0.01  -0.02
    24   1     0.10   0.12   0.22     0.06   0.45  -0.18     0.01   0.02   0.00
    25   1     0.06   0.23  -0.10     0.13   0.23   0.41     0.01   0.02   0.01
    26   1    -0.27  -0.29   0.02     0.38  -0.10   0.04    -0.00  -0.02   0.00
    27   1    -0.22   0.07   0.38    -0.23   0.18  -0.08    -0.02   0.01   0.01
    28   1     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.02   0.01
    29   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.00
    30   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.06   0.03
    32   1    -0.01  -0.00   0.00    -0.00   0.00   0.00     0.05   0.01  -0.04
    33   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.04  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1617.5510              1658.1575              1805.9216
 Red. masses --      5.9930                 5.7764                 9.5445
 Frc consts  --      9.2387                 9.3574                18.3401
 IR Inten    --      0.1196                 0.8116               271.8030
 RamAct Fr= 1--      1.5845               129.4181                16.7008
  Dep-P Fr= 1--      0.7047                 0.4777                 0.1701
  Dep-U Fr= 1--      0.8267                 0.6465                 0.2907
 Alpha2 Fr= 1--      0.0012                 0.7067                 0.2452
 Beta2  Fr= 1--      0.2183                13.9455                 0.8093
 AlphaG Fr= 1--     -0.0352                -0.4899                -0.5947
 Gamma2 Fr= 1--      0.0852                -4.9249                -2.0658
 Delta2 Fr= 1--     -0.1619                -0.5303                 0.9254
 Raman1 Fr= 1--       6.338                517.672                 66.803
 ROA1   Fr= 1--       2.998               -489.756               -168.707
 CID1   Fr= 1--       0.473                 -0.946                 -2.525
 Raman2 Fr= 1--       2.620                167.346                  9.711
 ROA2   Fr= 1--       3.340               -113.954                -56.982
 CID2   Fr= 1--       1.275                 -0.681                 -5.868
 Raman3 Fr= 1--       5.240                334.691                 19.423
 ROA3   Fr= 1--       2.998               -489.756               -168.707
 CID3   Fr= 1--       0.572                 -1.463                 -8.686
 RC180  Fr= 1--       0.653                  0.293                 -0.419
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.08   0.17     0.30  -0.05   0.03    -0.01   0.00  -0.00
     2   6    -0.03   0.12  -0.32    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.07   0.06  -0.20    -0.27  -0.00   0.11     0.01  -0.00   0.00
     4   6     0.05  -0.12   0.32     0.19  -0.02  -0.02    -0.02   0.00  -0.00
     5   6    -0.12   0.08  -0.18    -0.28   0.05  -0.03     0.01  -0.00   0.00
     6   6    -0.08  -0.07   0.21     0.27   0.01  -0.11    -0.01   0.00   0.00
     7   6     0.00  -0.01   0.04     0.03  -0.01  -0.01    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.02   0.02  -0.04    -0.02  -0.00   0.00    -0.01   0.04  -0.04
    12   6    -0.00  -0.01   0.00     0.00   0.00   0.02     0.25  -0.33   0.58
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.16   0.18  -0.38
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.05
    15   1    -0.29   0.03   0.04    -0.31   0.11  -0.19     0.02  -0.00   0.00
    16   1    -0.30   0.02   0.05     0.26   0.07  -0.29     0.02  -0.02  -0.01
    17   1     0.31  -0.03  -0.04     0.29  -0.11   0.17    -0.02   0.01  -0.01
    18   1     0.31  -0.02  -0.06    -0.25  -0.07   0.27     0.00   0.00  -0.01
    19   1    -0.21  -0.02  -0.01     0.02   0.01  -0.01     0.00  -0.00   0.00
    20   1     0.20   0.04  -0.03     0.02   0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.00   0.01  -0.01    -0.01  -0.04  -0.01     0.00   0.00   0.00
    22   1    -0.02   0.01  -0.00     0.01  -0.00  -0.01     0.00  -0.00   0.00
    23   1    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00  -0.00
    24   1     0.01   0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.00
    26   1     0.01   0.02  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    27   1     0.01  -0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00  -0.00
    28   1     0.28  -0.05   0.01    -0.02   0.01   0.00    -0.10   0.21   0.00
    29   6    -0.00   0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    30   1     0.00   0.01   0.01     0.00   0.00   0.01     0.10   0.16   0.43
    31   1     0.00  -0.02   0.02     0.00   0.02   0.02     0.02  -0.04   0.01
    32   1    -0.02  -0.00  -0.00     0.02   0.00  -0.00    -0.06  -0.04  -0.09
    33   1     0.02   0.02   0.01     0.02  -0.00  -0.00     0.02  -0.06   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3002.7917              3025.9174              3027.4211
 Red. masses --      1.0816                 1.0346                 1.0481
 Frc consts  --      5.7461                 5.5812                 5.6600
 IR Inten    --     21.6556                34.6655                41.7976
 RamAct Fr= 1--    134.5418                15.7268                58.5363
  Dep-P Fr= 1--      0.4490                 0.6793                 0.5712
  Dep-U Fr= 1--      0.6197                 0.8090                 0.7270
 Alpha2 Fr= 1--      0.8282                 0.0196                 0.1974
 Beta2  Fr= 1--     13.8964                 2.1205                 7.0931
 AlphaG Fr= 1--     -0.0068                -0.0034                -0.0832
 Gamma2 Fr= 1--      0.3421                -1.3589                 3.0672
 Delta2 Fr= 1--     -1.2516                 1.1454                -0.2599
 Raman1 Fr= 1--     538.167                 62.907                234.145
 ROA1   Fr= 1--      -7.209                -93.802                286.136
 CID1   Fr= 1--      -0.013                 -1.491                  1.222
 Raman2 Fr= 1--     166.756                 25.446                 85.118
 ROA2   Fr= 1--      18.224                -41.777                 75.693
 CID2   Fr= 1--       0.109                 -1.642                  0.889
 Raman3 Fr= 1--     333.513                 50.892                170.235
 ROA3   Fr= 1--      -7.209                -93.802                286.136
 CID3   Fr= 1--      -0.022                 -1.843                  1.681
 RC180  Fr= 1--       0.239                  0.618                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.02  -0.04  -0.02
     8   6    -0.08   0.02   0.02    -0.00   0.00  -0.00     0.01  -0.00  -0.00
     9   6     0.01  -0.00   0.00     0.00   0.00   0.04    -0.00  -0.00  -0.02
    10   6     0.01   0.00  -0.00     0.01  -0.02   0.02     0.00  -0.02   0.02
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1    -0.03   0.03   0.18     0.01  -0.01  -0.03    -0.09   0.09   0.47
    20   1    -0.07   0.14  -0.10     0.02  -0.04   0.03    -0.17   0.37  -0.27
    21   1     0.91  -0.20  -0.19     0.01  -0.00  -0.00    -0.15   0.03   0.03
    22   1    -0.03  -0.04  -0.01    -0.26  -0.34  -0.09     0.14   0.18   0.05
    23   1    -0.01   0.04  -0.03    -0.14   0.38  -0.26     0.08  -0.22   0.15
    24   1    -0.08   0.02   0.02     0.39  -0.10  -0.09    -0.18   0.05   0.04
    25   1    -0.08   0.02   0.01    -0.33   0.09   0.07    -0.26   0.07   0.05
    26   1    -0.00   0.01   0.05     0.04  -0.09  -0.38     0.04  -0.08  -0.37
    27   1    -0.03  -0.04  -0.02     0.21   0.28   0.09     0.19   0.25   0.08
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3032.9260              3047.3602              3063.7286
 Red. masses --      1.0480                 1.0356                 1.1040
 Frc consts  --      5.6801                 5.6660                 6.1052
 IR Inten    --     18.8853                25.6057                18.0449
 RamAct Fr= 1--    576.5058               240.1888                55.2500
  Dep-P Fr= 1--      0.0110                 0.0631                 0.7500
  Dep-U Fr= 1--      0.0217                 0.1188                 0.8571
 Alpha2 Fr= 1--     12.4865                 4.5979                 0.0000
 Beta2  Fr= 1--      2.0874                 4.7547                 7.8928
 AlphaG Fr= 1--      0.2628                -0.4007                 0.0013
 Gamma2 Fr= 1--      0.1714                 0.9290                 0.8612
 Delta2 Fr= 1--     -0.4145                 3.8155                 1.3496
 Raman1 Fr= 1--    2306.023                960.755                221.000
 ROA1   Fr= 1--       3.187                211.284                125.861
 CID1   Fr= 1--       0.001                  0.220                  0.570
 Raman2 Fr= 1--      25.049                 57.056                 94.714
 ROA2   Fr= 1--       7.429                 -8.227                  9.872
 CID2   Fr= 1--       0.297                 -0.144                  0.104
 Raman3 Fr= 1--      50.098                114.112                189.428
 ROA3   Fr= 1--       3.187                211.284                125.861
 CID3   Fr= 1--       0.064                  1.852                  0.664
 RC180  Fr= 1--      -0.957                 -0.762                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.02  -0.04  -0.02     0.00  -0.00  -0.00    -0.01   0.03  -0.09
     8   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.01   0.00
    10   6    -0.01   0.02  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.01
    11   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.01   0.00  -0.01     0.00   0.00  -0.00     0.01   0.00  -0.01
    16   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.01   0.01  -0.01
    19   1    -0.08   0.08   0.45    -0.00   0.00   0.00    -0.13   0.14   0.68
    20   1    -0.17   0.36  -0.26    -0.00   0.00  -0.00     0.25  -0.54   0.37
    21   1    -0.18   0.04   0.04    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   1    -0.16  -0.20  -0.06    -0.00  -0.00  -0.00     0.03   0.03   0.01
    23   1    -0.08   0.23  -0.16    -0.00   0.00  -0.00    -0.01   0.04  -0.03
    24   1     0.28  -0.07  -0.07     0.00  -0.00  -0.00    -0.03   0.01   0.01
    25   1     0.30  -0.08  -0.06     0.00  -0.00  -0.00     0.03  -0.01  -0.00
    26   1    -0.03   0.07   0.31    -0.00   0.00   0.00     0.00  -0.01  -0.05
    27   1    -0.17  -0.22  -0.06    -0.00  -0.00  -0.00    -0.03  -0.03  -0.01
    28   1    -0.00  -0.00   0.00    -0.01  -0.01   0.04    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.03  -0.03  -0.02    -0.00  -0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.01   0.00   0.00     0.66  -0.05  -0.14     0.00  -0.00  -0.00
    32   1     0.00  -0.00   0.00    -0.19   0.54  -0.09    -0.00   0.00  -0.00
    33   1     0.00   0.00  -0.00    -0.07  -0.11   0.44    -0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.4542              3085.7601              3088.3106
 Red. masses --      1.0840                 1.1020                 1.1008
 Frc consts  --      6.0212                 6.1823                 6.1860
 IR Inten    --      6.7738                15.1656                50.6078
 RamAct Fr= 1--     69.2637                38.3038               134.4455
  Dep-P Fr= 1--      0.1730                 0.7491                 0.6953
  Dep-U Fr= 1--      0.2950                 0.8566                 0.8202
 Alpha2 Fr= 1--      1.0094                 0.0006                 0.1286
 Beta2  Fr= 1--      3.4059                 5.4683                18.3795
 AlphaG Fr= 1--     -0.0199                 0.0577                -0.1133
 Gamma2 Fr= 1--     -0.2527                -0.4827                -3.9840
 Delta2 Fr= 1--     -3.5976                 0.9230                -4.5245
 Raman1 Fr= 1--     277.055                153.215                537.782
 ROA1   Fr= 1--    -139.379                -16.800               -527.251
 CID1   Fr= 1--      -0.503                 -0.110                 -0.980
 Raman2 Fr= 1--      40.871                 65.619                220.554
 ROA2   Fr= 1--      22.717                -18.967                -59.421
 CID2   Fr= 1--       0.556                 -0.289                 -0.269
 Raman3 Fr= 1--      81.742                131.238                441.109
 ROA3   Fr= 1--    -139.379                -16.800               -527.251
 CID3   Fr= 1--      -1.705                 -0.128                 -1.195
 RC180  Fr= 1--      -0.410                  0.713                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.01   0.07  -0.01     0.00  -0.06   0.01
    10   6     0.00   0.00   0.00    -0.02  -0.04  -0.04    -0.01  -0.04  -0.05
    11   6     0.01   0.02  -0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.01
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.01   0.01  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01   0.01   0.06    -0.00   0.01   0.02
    20   1     0.00  -0.00   0.00     0.02  -0.05   0.03    -0.00   0.01  -0.01
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.03   0.01   0.01
    22   1     0.00   0.00   0.00    -0.32  -0.41  -0.12     0.26   0.32   0.10
    23   1     0.00  -0.00   0.00     0.15  -0.41   0.29    -0.14   0.37  -0.27
    24   1    -0.00   0.00   0.00     0.06   0.00  -0.02    -0.14   0.02   0.04
    25   1    -0.00   0.00   0.00    -0.03  -0.00  -0.00    -0.10   0.02   0.00
    26   1     0.00  -0.00  -0.00    -0.05   0.08   0.44    -0.06   0.10   0.52
    27   1    -0.00  -0.00  -0.00     0.28   0.36   0.10     0.31   0.40   0.11
    28   1    -0.17  -0.22   0.94    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    30   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.04  -0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   1     0.03   0.04  -0.15     0.00   0.00  -0.00     0.00   0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3091.7159              3096.8921              3111.0142
 Red. masses --      1.1017                 1.1008                 1.1023
 Frc consts  --      6.2046                 6.2203                 6.2857
 IR Inten    --      7.4794                76.2276                26.7324
 RamAct Fr= 1--     12.6577                59.0416               107.3961
  Dep-P Fr= 1--      0.7384                 0.4685                 0.6836
  Dep-U Fr= 1--      0.8495                 0.6381                 0.8121
 Alpha2 Fr= 1--      0.0025                 0.3353                 0.1255
 Beta2  Fr= 1--      1.7922                 6.2787                14.5357
 AlphaG Fr= 1--     -0.0596                -0.0243                 0.0878
 Gamma2 Fr= 1--      4.6203                -2.1664                 0.5185
 Delta2 Fr= 1--      1.1874                 1.0505                -4.8023
 Raman1 Fr= 1--      50.631                236.166                429.584
 ROA1   Fr= 1--     481.542               -174.353               -103.899
 CID1   Fr= 1--       9.511                 -0.738                 -0.242
 Raman2 Fr= 1--      21.506                 75.345                174.428
 ROA2   Fr= 1--     101.387                -60.397                 50.863
 CID2   Fr= 1--       4.714                 -0.802                  0.292
 Raman3 Fr= 1--      43.013                150.690                348.857
 ROA3   Fr= 1--     481.542               -174.353               -103.899
 CID3   Fr= 1--      11.195                 -1.157                 -0.298
 RC180  Fr= 1--       0.699                  0.276                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     9   6    -0.07   0.01  -0.00    -0.06   0.00  -0.00     0.00   0.00   0.00
    10   6     0.06  -0.00  -0.02    -0.06  -0.01   0.02     0.00   0.00   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00   0.01     0.00   0.00  -0.01     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.01     0.00  -0.00   0.01    -0.00   0.00  -0.00
    19   1    -0.00   0.01   0.03     0.00  -0.00  -0.02    -0.00   0.00   0.00
    20   1     0.01  -0.02   0.02     0.01  -0.01   0.01    -0.00   0.00  -0.00
    21   1     0.01  -0.00  -0.00     0.16  -0.04  -0.03    -0.00   0.00   0.00
    22   1     0.18   0.26   0.07     0.19   0.27   0.08    -0.00  -0.00  -0.00
    23   1     0.05  -0.19   0.13     0.04  -0.14   0.09     0.00   0.00  -0.00
    24   1     0.58  -0.15  -0.15     0.51  -0.13  -0.14    -0.00   0.00   0.00
    25   1    -0.54   0.15   0.10     0.57  -0.16  -0.10    -0.00   0.00   0.00
    26   1    -0.01   0.05   0.25     0.01  -0.04  -0.19     0.00   0.00  -0.00
    27   1    -0.14  -0.20  -0.06     0.20   0.28   0.09    -0.00  -0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.02
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.03  -0.14
    32   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.20  -0.63   0.12
    33   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.01   0.06  -0.19
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.9190              3161.7150              3167.3220
 Red. masses --      1.1014                 1.0868                 1.0871
 Frc consts  --      6.3569                 6.4007                 6.4257
 IR Inten    --     12.6711                11.0810                 8.4638
 RamAct Fr= 1--     27.9085                50.6251                53.6502
  Dep-P Fr= 1--      0.6801                 0.7250                 0.6363
  Dep-U Fr= 1--      0.8096                 0.8406                 0.7778
 Alpha2 Fr= 1--      0.0344                 0.0218                 0.1104
 Beta2  Fr= 1--      3.7656                 7.0922                 6.9544
 AlphaG Fr= 1--      0.0789                -0.0496                -0.1309
 Gamma2 Fr= 1--     -1.5489                 1.0408                -2.6883
 Delta2 Fr= 1--      2.1721                -0.2363                 1.7259
 Raman1 Fr= 1--     111.634                202.500                214.601
 ROA1   Fr= 1--     -79.193                 92.355               -202.851
 CID1   Fr= 1--      -0.709                  0.456                 -0.945
 Raman2 Fr= 1--      45.187                 85.107                 83.453
 ROA2   Fr= 1--     -54.551                 26.870                -78.327
 CID2   Fr= 1--      -1.207                  0.316                 -0.939
 Raman3 Fr= 1--      90.374                170.213                166.906
 ROA3   Fr= 1--     -79.193                 92.355               -202.851
 CID3   Fr= 1--      -0.876                  0.543                 -1.215
 RC180  Fr= 1--       0.619                  0.681                  0.556
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.06
     2   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.02  -0.02   0.03
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.02   0.02  -0.06    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.03  -0.02   0.04    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1    -0.00  -0.00   0.01    -0.02  -0.01   0.04    -0.33  -0.22   0.75
    16   1    -0.02   0.01  -0.03    -0.02   0.01  -0.03    -0.30   0.18  -0.38
    17   1     0.01   0.01  -0.02    -0.30  -0.21   0.68     0.01   0.00  -0.02
    18   1     0.00  -0.00   0.00    -0.36   0.22  -0.46     0.05  -0.03   0.06
    19   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00   0.02
    20   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    24   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.01
    27   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.01   0.00
    28   1    -0.02  -0.03   0.15    -0.01  -0.01   0.02     0.00   0.00  -0.00
    29   6     0.01   0.05  -0.08     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   1    -0.19   0.02   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    32   1     0.15  -0.42   0.06     0.00  -0.00   0.00    -0.00   0.01  -0.00
    33   1    -0.13  -0.19   0.82    -0.00  -0.00   0.01     0.00   0.01  -0.03
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3178.7823              3185.4868              3723.6485
 Red. masses --      1.0936                 1.0937                 1.0639
 Frc consts  --      6.5106                 6.5389                 8.6917
 IR Inten    --     18.1419                 3.4109                62.4765
 RamAct Fr= 1--    101.7717               145.1373               145.3301
  Dep-P Fr= 1--      0.1339                 0.1167                 0.2402
  Dep-U Fr= 1--      0.2362                 0.2090                 0.3874
 Alpha2 Fr= 1--      1.6383                 2.4389                 1.7698
 Beta2  Fr= 1--      4.0066                 5.0550                 9.3840
 AlphaG Fr= 1--      0.6009                -0.6459                -0.2908
 Gamma2 Fr= 1--      4.5713                -1.0020                -6.0383
 Delta2 Fr= 1--      0.9422                -1.0484                -0.1861
 Raman1 Fr= 1--     407.087                580.549                581.321
 ROA1   Fr= 1--     468.996               -129.744               -585.631
 CID1   Fr= 1--       1.152                 -0.223                 -1.007
 Raman2 Fr= 1--      48.079                 60.660                112.608
 ROA2   Fr= 1--     102.173                -15.661               -143.429
 CID2   Fr= 1--       2.125                 -0.258                 -1.274
 Raman3 Fr= 1--      96.159                121.320                225.216
 ROA3   Fr= 1--     468.996               -129.744               -585.631
 CID3   Fr= 1--       4.877                 -1.069                 -2.600
 RC180  Fr= 1--      -0.528                 -0.582                 -0.225
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.02   0.01  -0.04     0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.01    -0.04   0.03  -0.05     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.02   0.01  -0.05    -0.00  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.04   0.02  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.06   0.01
    15   1    -0.02  -0.01   0.05    -0.20  -0.14   0.46    -0.00  -0.00   0.00
    16   1     0.10  -0.06   0.13     0.48  -0.29   0.61     0.00   0.00  -0.00
    17   1    -0.25  -0.17   0.55     0.04   0.03  -0.09     0.00   0.00  -0.00
    18   1     0.44  -0.27   0.55    -0.08   0.05  -0.10    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.01   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.25   0.94  -0.22
    31   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    32   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.01    -0.00  -0.01   0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1525.328776240.173296479.96984
           X            0.99977   0.02139   0.00198
           Y           -0.02134   0.99956  -0.02054
           Z           -0.00242   0.02049   0.99979
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05678     0.01388     0.01337
 Rotational constants (GHZ):           1.18318     0.28921     0.27851
 Zero-point vibrational energy     747039.7 (Joules/Mol)
                                  178.54677 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.48    53.94    69.11    83.01   130.92
          (Kelvin)            164.09   225.10   288.66   322.11   356.53
                              369.81   387.20   405.64   493.15   507.58
                              560.85   585.21   604.84   613.86   683.65
                              808.32   826.72   901.69   926.14   958.21
                             1018.95  1092.44  1130.24  1184.04  1197.46
                             1231.73  1234.10  1251.71  1295.97  1356.42
                             1379.47  1395.71  1401.09  1413.01  1460.01
                             1506.19  1559.36  1575.43  1587.85  1597.86
                             1649.17  1671.51  1731.09  1745.71  1760.45
                             1779.24  1790.79  1842.60  1884.34  1884.64
                             1941.94  1965.83  1978.88  1997.19  2003.48
                             2022.12  2037.48  2050.38  2101.89  2142.78
                             2143.65  2146.92  2155.07  2156.57  2170.77
                             2176.46  2232.86  2327.30  2385.72  2598.32
                             4320.35  4353.62  4355.78  4363.70  4384.47
                             4408.02  4417.70  4439.72  4443.39  4448.29
                             4455.74  4476.06  4503.26  4549.00  4557.07
                             4573.56  4583.21  5357.50
 
 Zero-point correction=                           0.284532 (Hartree/Particle)
 Thermal correction to Energy=                    0.300060
 Thermal correction to Enthalpy=                  0.301004
 Thermal correction to Gibbs Free Energy=         0.240320
 Sum of electronic and zero-point Energies=           -656.739078
 Sum of electronic and thermal Energies=              -656.723551
 Sum of electronic and thermal Enthalpies=            -656.722607
 Sum of electronic and thermal Free Energies=         -656.783291
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.290             58.557            127.720
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.489
 Vibrational            186.513             52.596             53.357
 Vibration     1          0.593              1.985              6.218
 Vibration     2          0.594              1.982              5.388
 Vibration     3          0.595              1.978              4.897
 Vibration     4          0.596              1.974              4.534
 Vibration     5          0.602              1.956              3.639
 Vibration     6          0.607              1.938              3.199
 Vibration     7          0.620              1.895              2.592
 Vibration     8          0.638              1.839              2.127
 Vibration     9          0.649              1.805              1.927
 Vibration    10          0.661              1.766              1.746
 Vibration    11          0.667              1.751              1.682
 Vibration    12          0.674              1.730              1.602
 Vibration    13          0.681              1.707              1.522
 Vibration    14          0.722              1.590              1.199
 Vibration    15          0.729              1.570              1.154
 Vibration    16          0.758              1.492              1.001
 Vibration    17          0.772              1.456              0.938
 Vibration    18          0.783              1.426              0.891
 Vibration    19          0.788              1.412              0.870
 Vibration    20          0.832              1.305              0.723
 Vibration    21          0.918              1.114              0.520
 Vibration    22          0.931              1.086              0.495
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288683-110       -110.539579       -254.526787
 Total V=0       0.216829D+21         20.336117         46.825640
 Vib (Bot)       0.882757-125       -125.054159       -287.947842
 Vib (Bot)    1  0.839749D+01          0.924149          2.127933
 Vib (Bot)    2  0.551996D+01          0.741936          1.708371
 Vib (Bot)    3  0.430461D+01          0.633934          1.459686
 Vib (Bot)    4  0.357998D+01          0.553881          1.275357
 Vib (Bot)    5  0.225915D+01          0.353945          0.814989
 Vib (Bot)    6  0.179428D+01          0.253889          0.584601
 Vib (Bot)    7  0.129357D+01          0.111791          0.257409
 Vib (Bot)    8  0.993612D+00         -0.002783         -0.006409
 Vib (Bot)    9  0.882076D+00         -0.054494         -0.125477
 Vib (Bot)   10  0.788433D+00         -0.103235         -0.237708
 Vib (Bot)   11  0.756781D+00         -0.121030         -0.278681
 Vib (Bot)   12  0.718444D+00         -0.143607         -0.330667
 Vib (Bot)   13  0.681236D+00         -0.166702         -0.383847
 Vib (Bot)   14  0.540797D+00         -0.266966         -0.614712
 Vib (Bot)   15  0.522029D+00         -0.282305         -0.650031
 Vib (Bot)   16  0.460623D+00         -0.336655         -0.775176
 Vib (Bot)   17  0.436028D+00         -0.360486         -0.830049
 Vib (Bot)   18  0.417564D+00         -0.379277         -0.873317
 Vib (Bot)   19  0.409451D+00         -0.387798         -0.892938
 Vib (Bot)   20  0.353436D+00         -0.451689         -1.040053
 Vib (Bot)   21  0.276158D+00         -0.558842         -1.286782
 Vib (Bot)   22  0.266627D+00         -0.574095         -1.321903
 Vib (V=0)       0.663036D+06          5.821537         13.404585
 Vib (V=0)    1  0.891236D+01          0.949993          2.187439
 Vib (V=0)    2  0.604256D+01          0.781221          1.798828
 Vib (V=0)    3  0.483355D+01          0.684266          1.575581
 Vib (V=0)    4  0.411473D+01          0.614341          1.414573
 Vib (V=0)    5  0.281382D+01          0.449296          1.034543
 Vib (V=0)    6  0.236264D+01          0.373397          0.859779
 Vib (V=0)    7  0.188684D+01          0.275736          0.634905
 Vib (V=0)    8  0.161232D+01          0.207452          0.477677
 Vib (V=0)    9  0.151393D+01          0.180106          0.414710
 Vib (V=0)   10  0.143361D+01          0.156431          0.360195
 Vib (V=0)   11  0.140704D+01          0.148306          0.341487
 Vib (V=0)   12  0.137531D+01          0.138400          0.318677
 Vib (V=0)   13  0.134503D+01          0.128733          0.296419
 Vib (V=0)   14  0.123652D+01          0.092201          0.212301
 Vib (V=0)   15  0.122285D+01          0.087374          0.201186
 Vib (V=0)   16  0.117983D+01          0.071821          0.165373
 Vib (V=0)   17  0.116342D+01          0.065735          0.151360
 Vib (V=0)   18  0.115143D+01          0.061237          0.141004
 Vib (V=0)   19  0.114626D+01          0.059283          0.136503
 Vib (V=0)   20  0.111230D+01          0.046224          0.106434
 Vib (V=0)   21  0.107119D+01          0.029868          0.068774
 Vib (V=0)   22  0.106665D+01          0.028021          0.064521
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.281133D+07          6.448912         14.849169
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111100000000000                           8665554444444443333333222222111100009999998888877766655444433322222211     
     2        87663199887643220                           051510999986210987651184321064109841877540755328506427672209548654205195432
     4        59720172860473763                           688239982091565285600015743326145475240931086236986475257070332978416418875
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX  X XXXXXXXXXXXXXXXXXX XXXXXXXXXXX XXXX
     X             XX X   X XXX                           X  X           X            XX X X        X      X XXXX                    
     X              X X     XX                            X              X            XX X X               X  XX                     
     X              X X                                   X                           X    X                                         
     X              X                                     X                           X                                              
                    X                                     X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002700   -0.000000405    0.000001092
      2        6           0.000001237    0.000003018   -0.000005361
      3        6           0.000000234   -0.000000515    0.000000826
      4        6          -0.000015854   -0.000002116    0.000005902
      5        6           0.000007750   -0.000004050   -0.000000903
      6        6          -0.000006593    0.000000545    0.000003350
      7        6          -0.000006712    0.000006523    0.000004967
      8        6          -0.000004530    0.000001275    0.000001615
      9        6           0.000004080   -0.000004027   -0.000012761
     10        6           0.000004161   -0.000010994    0.000003978
     11        6           0.000029668    0.000004342   -0.000000610
     12        6          -0.000007416    0.000002545    0.000004038
     13        8           0.000001254   -0.000000520   -0.000003365
     14        8           0.000000324   -0.000006314   -0.000004531
     15        1           0.000000299   -0.000002215    0.000000615
     16        1          -0.000000765    0.000000864    0.000001066
     17        1          -0.000000937    0.000003315   -0.000000179
     18        1           0.000000372    0.000001211   -0.000001255
     19        1           0.000001962   -0.000003538   -0.000000475
     20        1           0.000002378   -0.000003105   -0.000001875
     21        1           0.000004131    0.000004194    0.000001038
     22        1          -0.000001097    0.000001730    0.000000018
     23        1          -0.000001506    0.000000662    0.000000570
     24        1          -0.000001499    0.000003211    0.000004080
     25        1          -0.000001511    0.000003334   -0.000002528
     26        1          -0.000001485   -0.000001268   -0.000001264
     27        1          -0.000001114    0.000001344   -0.000000962
     28        1          -0.000005019    0.000000639    0.000003479
     29        6           0.000002628   -0.000006374   -0.000006008
     30        1          -0.000001168    0.000005075   -0.000001348
     31        1          -0.000003043   -0.000000872    0.000000886
     32        1          -0.000001601    0.000000940    0.000003482
     33        1          -0.000001327    0.000001549    0.000002424
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000029668 RMS     0.000004878
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217887D+03 -0.951777D+00  0.177291D+01
      2  -0.951777D+00  0.143262D+03 -0.746925D+01
      3   0.177291D+01 -0.746925D+01  0.158168D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.104934D+02 -0.882753D+01  0.220769D+02
      2   0.324520D+01 -0.950081D+01  0.503277D+02
      3  -0.119718D+03 -0.324933D+02  0.163752D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.162388D+03  0.511718D+02 -0.259066D+02
      2  -0.930257D+02 -0.272261D+02  0.367158D+02
      3  -0.693628D+02 -0.239457D+02 -0.108092D+02
      4  -0.282264D+02  0.653673D+02 -0.195608D+02
      5  -0.275770D+02 -0.268854D+02  0.111709D+03
      6   0.565240D+00  0.220880D+02 -0.273832D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.105797D+02  0.288576D+00  0.649029D+00  0.571777D+01  0.218478D+01
      2   0.288576D+00  0.124840D+01 -0.105172D+00  0.218478D+01  0.190852D+01
      3   0.649029D+00 -0.105172D+00  0.118597D+01 -0.506953D+00 -0.276854D+01
                 6             7             8             9            10 
      1  -0.506953D+00 -0.939692D+01  0.315985D+00 -0.485160D+00  0.315483D+02
      2  -0.276854D+01  0.315985D+00 -0.120319D+01 -0.100153D+01  0.175279D+01
      3  -0.212794D+01 -0.485160D+00 -0.100153D+01 -0.162781D+01 -0.147982D+01
                11            12            13            14            15 
      1   0.175279D+01 -0.147982D+01 -0.422806D+00  0.408365D+01  0.124649D+01
      2   0.183860D+01 -0.837514D+00  0.408365D+01 -0.119566D+01 -0.125102D+00
      3  -0.837514D+00  0.300807D+01  0.124649D+01 -0.125102D+00 -0.990611D+00
                16            17            18            19            20 
      1  -0.444379D+01  0.128146D+01  0.137214D+01  0.780715D+01 -0.382439D+00
      2   0.128146D+01 -0.614351D-01 -0.949027D+00 -0.382439D+00 -0.115351D+01
      3   0.137214D+01 -0.949027D+00 -0.534562D+00 -0.722581D+00 -0.446737D+00
                21            22            23            24            25 
      1  -0.722581D+00  0.386154D+01 -0.149870D+01 -0.117866D+01 -0.131590D+02
      2  -0.446737D+00 -0.149870D+01  0.240743D+01 -0.211988D+01  0.155895D+00
      3  -0.295287D+01 -0.117866D+01 -0.211988D+01 -0.111770D+01  0.545430D+00
                26            27            28            29            30 
      1   0.155895D+00  0.545430D+00 -0.286887D+02 -0.141741D+00  0.134286D+01
      2  -0.680898D+00 -0.826041D+00 -0.141741D+00 -0.141289D+01  0.307238D+00
      3  -0.826041D+00 -0.145453D+01  0.134286D+01  0.307238D+00 -0.266044D+01
                31            32            33            34            35 
      1   0.281543D+01 -0.485770D+01 -0.147778D+01  0.316020D+01 -0.149542D+01
      2  -0.485770D+01  0.925528D+00  0.441632D+00 -0.149542D+01 -0.675140D-01
      3  -0.147778D+01  0.441632D+00  0.171252D+00 -0.834538D+00 -0.726086D+00
                36            37            38            39            40 
      1  -0.834538D+00  0.125919D+02 -0.741482D+00 -0.109791D+01 -0.430916D+01
      2  -0.726086D+00 -0.741482D+00 -0.228936D+01  0.128163D+01 -0.167642D+01
      3   0.965042D+00 -0.109791D+01  0.128163D+01 -0.164853D+01 -0.369624D-01
                41            42            43            44            45 
      1  -0.167642D+01 -0.369624D-01  0.108877D+02 -0.192904D+01  0.501477D+00
      2  -0.272539D+01  0.235983D+01 -0.192904D+01  0.125405D+01  0.130452D+01
      3   0.235983D+01  0.202662D+01  0.501477D+00  0.130452D+01  0.136610D+01
                46            47            48            49            50 
      1  -0.932395D+01  0.828877D+00  0.894721D+00 -0.197147D+01  0.137490D+01
      2   0.828877D+00  0.150826D+01 -0.523772D+00  0.137490D+01 -0.352927D+01
      3   0.894721D+00 -0.523772D+00  0.303366D+01  0.201805D+01  0.203119D+01
                51            52            53            54            55 
      1   0.201805D+01  0.131791D+02  0.151419D+01 -0.881144D+00 -0.156659D+02
      2   0.203119D+01  0.151419D+01 -0.155755D+00  0.138800D+01 -0.277168D+01
      3   0.103468D+01 -0.881144D+00  0.138800D+01  0.924038D+00 -0.334074D+00
                56            57            58            59            60 
      1  -0.277168D+01 -0.334074D+00 -0.669735D+01 -0.664888D+01 -0.216466D+00
      2  -0.372220D+01  0.824321D-01 -0.664888D+01  0.886333D+00 -0.199320D+01
      3   0.824321D-01 -0.158909D+01 -0.216466D+00 -0.199320D+01  0.182318D+01
                61            62            63            64            65 
      1  -0.142371D+01 -0.405824D+00 -0.311040D+01 -0.389642D+01  0.437089D+01
      2  -0.405824D+00 -0.258271D+01  0.287400D+01  0.437089D+01  0.283452D+01
      3  -0.311040D+01  0.287400D+01  0.494562D+01  0.244370D+01 -0.318211D+00
                66            67            68            69            70 
      1   0.244370D+01  0.132153D+02  0.490116D+01 -0.169397D+00  0.561438D+01
      2  -0.318211D+00  0.490116D+01  0.144773D+01  0.320747D+01  0.644353D+00
      3   0.580100D+00 -0.169397D+00  0.320747D+01 -0.244199D+01  0.449106D-01
                71            72            73            74            75 
      1   0.644353D+00  0.449106D-01  0.276658D+01 -0.344756D+01 -0.253550D+01
      2   0.325530D+01 -0.214485D+01 -0.344756D+01 -0.336053D+01 -0.324699D-01
      3  -0.214485D+01 -0.419177D+01 -0.253550D+01 -0.324699D-01 -0.127038D+01
                76            77            78            79            80 
      1  -0.520784D+01 -0.453934D+01 -0.419317D-01 -0.318369D+01  0.145445D+00
      2  -0.453934D+01 -0.935876D+00 -0.442676D+01  0.145445D+00 -0.336343D+01
      3  -0.419317D-01 -0.442676D+01  0.262929D+01 -0.342348D+00  0.222177D+01
                81            82            83            84            85 
      1  -0.342348D+00  0.317103D+01 -0.390078D+01 -0.153615D+01 -0.570159D+01
      2   0.222177D+01 -0.390078D+01 -0.358370D+01  0.226520D+00 -0.375548D+01
      3   0.207870D+01 -0.153615D+01  0.226520D+00 -0.733221D+00 -0.209593D+00
                86            87            88            89            90 
      1  -0.375548D+01 -0.209593D+00 -0.208547D+01 -0.871280D+00 -0.627629D+00
      2  -0.268998D+01 -0.237921D+01 -0.871280D+00 -0.299932D+01  0.161737D+01
      3  -0.237921D+01  0.263944D+01 -0.627629D+00  0.161737D+01  0.638011D+01
                91            92            93            94            95 
      1   0.584453D+01  0.230379D+01  0.259878D+00 -0.866424D+00  0.544823D+01
      2   0.230379D+01  0.156338D+01  0.949669D+00  0.544823D+01 -0.386677D+01
      3   0.259878D+00  0.949669D+00  0.129901D+01  0.175337D+01 -0.312362D+00
                96            97            98            99           100 
      1   0.175337D+01  0.336934D+01  0.171810D+01  0.174979D+01  0.267087D+01
      2  -0.312362D+00  0.171810D+01  0.146928D+01  0.177282D+01 -0.199683D+01
      3   0.137371D+01  0.174979D+01  0.177282D+01 -0.437833D+01  0.144530D+01
               101           102           103           104           105 
      1  -0.199683D+01  0.144530D+01 -0.132116D+01 -0.844584D+00 -0.128123D+01
      2   0.727400D+00 -0.885503D+00 -0.844584D+00  0.372472D+01 -0.111650D+00
      3  -0.885503D+00  0.391999D+00 -0.128123D+01 -0.111650D+00 -0.209519D+01
               106           107           108           109           110 
      1   0.247104D+01 -0.292720D+01  0.137649D+01 -0.535266D+01  0.219630D+01
      2  -0.292720D+01  0.307872D+01 -0.256283D+01  0.219630D+01 -0.170207D+01
      3   0.137649D+01 -0.256283D+01  0.259774D+01 -0.347781D+01  0.690409D+00
               111           112           113           114           115 
      1  -0.347781D+01  0.300449D+01 -0.238616D+01  0.129513D+01 -0.771833D+01
      2   0.690409D+00 -0.238616D+01  0.266927D+01 -0.209158D+01  0.318934D+01
      3  -0.180412D+01  0.129513D+01 -0.209158D+01  0.225348D+01 -0.312504D+01
               116           117           118           119           120 
      1   0.318934D+01 -0.312504D+01  0.975420D+00  0.181514D+00  0.133885D+01
      2  -0.503650D+01  0.213002D+01  0.181514D+00  0.209740D+01  0.480313D+00
      3   0.213002D+01 -0.730763D+01  0.133885D+01  0.480313D+00  0.276360D+00
               121           122           123           124           125 
      1  -0.105641D+00  0.231391D+01  0.160293D+00  0.336730D+01 -0.105859D+01
      2   0.231391D+01 -0.661870D+01  0.684117D+00 -0.105859D+01  0.248748D+01
      3   0.160293D+00  0.684117D+00  0.282639D+00 -0.115542D+01  0.281745D+01
               126           127           128           129           130 
      1  -0.115542D+01  0.201270D+01  0.651875D+00 -0.185039D+01  0.332065D+00
      2   0.281745D+01  0.651875D+00  0.322714D+00 -0.322850D+00  0.153763D+00
      3   0.494140D+01 -0.185039D+01 -0.322850D+00  0.200392D+01 -0.548682D+00
               131           132           133           134           135 
      1   0.153763D+00 -0.548682D+00 -0.242754D+01 -0.910012D+00  0.265451D+01
      2   0.402949D+00 -0.582541D+00 -0.910012D+00 -0.124941D+01  0.150303D+01
      3  -0.582541D+00  0.198629D+01  0.265451D+01  0.150303D+01 -0.715559D+01
               136           137           138           139           140 
      1  -0.372722D+01  0.108830D+01 -0.178274D+01  0.170579D+01 -0.592782D+00
      2   0.108830D+01 -0.833080D+00  0.605475D+00 -0.592782D+00  0.695116D+00
      3  -0.178274D+01  0.605475D+00 -0.179964D+01  0.112718D+01 -0.655852D+00
               141           142           143           144           145 
      1   0.112718D+01 -0.242624D+01  0.904010D+00 -0.242611D+01 -0.211249D+01
      2  -0.655852D+00  0.904010D+00 -0.130171D+01  0.140411D+01 -0.642475D+00
      3   0.173326D+01 -0.242611D+01  0.140411D+01 -0.442810D+01  0.204383D+01
               146           147           148           149           150 
      1  -0.642475D+00  0.204383D+01 -0.425996D+00 -0.176961D+00  0.678986D+00
      2  -0.392657D+00  0.657688D+00 -0.176961D+00 -0.685390D+00  0.896389D+00
      3   0.657688D+00 -0.226940D+01  0.678986D+00  0.896389D+00 -0.234101D+01
               151           152           153           154           155 
      1   0.219721D+01  0.104832D+01 -0.264403D+01  0.359503D+01 -0.109223D+01
      2   0.104832D+01  0.174426D+01 -0.243157D+01 -0.109223D+01  0.112267D+01
      3  -0.264403D+01 -0.243157D+01  0.739247D+01  0.240646D+01 -0.109752D+01
               156           157           158           159           160 
      1   0.240646D+01 -0.211391D+01  0.850561D+00 -0.145563D+01  0.261644D+01
      2  -0.109752D+01  0.850561D+00 -0.106931D+01  0.103584D+01 -0.125817D+01
      3   0.217689D+01 -0.145563D+01  0.103584D+01 -0.207244D+01  0.273299D+01
               161           162           163           164           165 
      1  -0.125817D+01  0.273299D+01  0.157145D+01 -0.389546D+00 -0.157104D+01
      2   0.185914D+01 -0.212177D+01 -0.389546D+00  0.915333D+00  0.440861D+00
      3  -0.212177D+01  0.468836D+01 -0.157104D+01  0.440861D+00  0.135028D+01
               166           167           168           169           170 
      1   0.121082D+01  0.147641D+01  0.422865D+00 -0.485405D+01  0.706800D+00
      2   0.147641D+01 -0.116947D+01 -0.117974D+01  0.706800D+00 -0.196775D+01
      3   0.422865D+00 -0.117974D+01 -0.130812D+01  0.300966D+01 -0.253390D+01
               171           172           173           174           175 
      1   0.300966D+01  0.340569D+01 -0.183335D+01  0.100028D+01 -0.285950D+01
      2  -0.253390D+01 -0.183335D+01  0.242044D+01 -0.363725D+00  0.321909D+01
      3  -0.675886D+01  0.100028D+01 -0.363725D+00  0.714978D+00 -0.524590D+00
               176           177           178           179           180 
      1   0.321909D+01 -0.524590D+00  0.467277D+01 -0.942051D+00  0.115880D+01
      2  -0.565199D+01  0.134841D+01 -0.942051D+00  0.280062D+01 -0.153204D+01
      3   0.134841D+01 -0.119074D+01  0.115880D+01 -0.153204D+01  0.869332D+00
               181           182           183           184           185 
      1   0.131062D+02 -0.151582D+01 -0.168990D+01 -0.345588D+01  0.111420D+01
      2  -0.151582D+01  0.129607D+01  0.216363D+00  0.111420D+01 -0.102463D+01
      3  -0.168990D+01  0.216363D+00  0.158032D+01  0.164170D+00 -0.692839D+00
               186           187           188           189           190 
      1   0.164170D+00 -0.247884D+01  0.527021D-02  0.193977D+01  0.431946D+01
      2  -0.692839D+00  0.527021D-02 -0.810772D+00  0.826726D-01  0.305616D+01
      3  -0.149424D+00  0.193977D+01  0.826726D-01 -0.344135D+00  0.225966D+01
               191           192           193           194           195 
      1   0.305616D+01  0.225966D+01  0.408674D+01  0.379302D+01  0.197620D+01
      2   0.296366D+01  0.128069D+01  0.379302D+01  0.492399D+01  0.257693D+01
      3   0.128069D+01  0.195841D+01  0.197620D+01  0.257693D+01  0.222365D+01
               196           197           198           199           200 
      1   0.131930D+01  0.896709D+00  0.152498D+01  0.131973D+01 -0.657082D+00
      2   0.896709D+00  0.136761D+01  0.115726D+01 -0.657082D+00  0.134384D+01
      3   0.152498D+01  0.115726D+01  0.137417D+01  0.152531D+01 -0.666237D+00
               201           202           203           204           205 
      1   0.152531D+01 -0.169888D+01  0.133696D+01 -0.139880D+01  0.167771D+01
      2  -0.666237D+00  0.133696D+01 -0.345458D+01  0.261143D+01 -0.659959D+00
      3   0.153404D+01 -0.139880D+01  0.261143D+01 -0.371015D+01  0.152287D+01
               206           207           208           209           210 
      1  -0.659959D+00  0.152287D+01 -0.658648D+01  0.370091D+00  0.689482D+00
      2   0.216319D+01 -0.202458D+01  0.370091D+00 -0.134725D+01 -0.823500D+00
      3  -0.202458D+01  0.381882D+01  0.689482D+00 -0.823500D+00 -0.216030D+01
               211           212           213           214           215 
      1   0.763133D+00 -0.482227D+00 -0.569734D+00  0.102470D+01 -0.311819D+00
      2  -0.482227D+00  0.930083D+00  0.867947D+00 -0.311819D+00  0.694241D+00
      3  -0.569734D+00  0.867947D+00  0.501700D+00 -0.723110D+00  0.145989D+00
               216           217           218           219           220 
      1  -0.723110D+00 -0.663248D+01  0.584695D+00  0.688293D+00  0.959607D+00
      2   0.145989D+00  0.584695D+00 -0.239626D+01  0.373819D+00 -0.100345D+01
      3   0.118200D+01  0.688293D+00  0.373819D+00 -0.118699D+01  0.139133D+00
               221           222           223           224           225 
      1  -0.100345D+01  0.139133D+00  0.100283D+01 -0.699086D-01 -0.423565D+00
      2   0.154720D+01  0.157380D+00 -0.699086D-01  0.786930D+00  0.153863D+00
      3   0.157380D+00  0.245666D+00 -0.423565D+00  0.153863D+00 -0.375935D+00
               226           227           228           229           230 
      1   0.290322D+00  0.408254D+00 -0.101070D+01 -0.447672D-01  0.323347D+00
      2   0.408254D+00  0.554900D+00 -0.763111D-01  0.323347D+00 -0.288621D-01
      3  -0.101070D+01 -0.763111D-01  0.952250D+00  0.987153D-01 -0.576002D+00
               231           232           233           234           235 
      1   0.987153D-01 -0.167776D+01 -0.390202D+00  0.133003D+01  0.377946D+01
      2  -0.576002D+00 -0.390202D+00 -0.148882D+01  0.530440D+00  0.367446D+01
      3  -0.119555D+01  0.133003D+01  0.530440D+00 -0.890837D+01 -0.302900D-01
               236           237           238           239           240 
      1   0.367446D+01 -0.302900D-01  0.362773D+01  0.432342D+01 -0.160236D+00
      2   0.419741D+01 -0.214036D+00  0.432342D+01  0.728374D+01 -0.851151D-01
      3  -0.214036D+00  0.102620D+01 -0.160236D+00 -0.851151D-01  0.833605D+00
               241           242           243           244           245 
      1   0.109598D+01  0.811532D+00  0.776083D+00  0.396824D+00 -0.904453D+00
      2   0.811532D+00  0.163050D+01  0.643007D+00 -0.904453D+00 -0.475119D+00
      3   0.776083D+00  0.643007D+00 -0.166197D+00  0.127168D+01  0.747562D-01
               246           247           248           249           250 
      1   0.127168D+01 -0.134997D+01 -0.986268D+00  0.181719D+00  0.280265D+01
      2   0.747562D-01 -0.986268D+00 -0.598772D+00  0.109589D+01  0.238743D+00
      3  -0.112268D+01  0.181719D+00  0.109589D+01 -0.126645D+01 -0.189353D+01
               251           252           253           254           255 
      1   0.238743D+00 -0.189353D+01  0.795146D+01 -0.456773D+00 -0.180518D+01
      2   0.164129D+01 -0.113185D+01 -0.456773D+00 -0.332891D+01 -0.729642D+00
      3  -0.113185D+01  0.601642D+01 -0.180518D+01 -0.729642D+00 -0.978694D+00
               256           257           258           259           260 
      1  -0.483301D+01 -0.346678D+01 -0.111151D+01 -0.632149D+01 -0.129289D+01
      2  -0.346678D+01  0.420508D+01 -0.114733D+01 -0.129289D+01 -0.223542D+01
      3  -0.111151D+01 -0.114733D+01 -0.171560D+01 -0.138440D+01 -0.125249D+01
               261           262           263           264           265 
      1  -0.138440D+01 -0.101685D+01  0.149041D+01  0.559824D+00  0.173004D+01
      2  -0.125249D+01  0.149041D+01 -0.204090D+01 -0.530121D+00 -0.292862D+01
      3   0.385798D+01  0.559824D+00 -0.530121D+00 -0.463479D+00 -0.627790D+00
               266           267           268           269           270 
      1  -0.292862D+01 -0.627790D+00 -0.212665D+00  0.526121D+00 -0.203325D+00
      2   0.101791D+02  0.213757D+01  0.526121D+00 -0.144574D+01  0.539823D+00
      3   0.213757D+01  0.194111D+01 -0.203325D+00  0.539823D+00  0.564326D+00
               271           272           273           274           275 
      1  -0.152122D+02 -0.198558D+01  0.262944D+00  0.748952D+00 -0.994743D+00
      2  -0.198558D+01 -0.153922D+01 -0.143389D+00 -0.994743D+00 -0.506057D+00
      3   0.262944D+00 -0.143389D+00 -0.113802D+01  0.945902D-01  0.194420D+00
               276           277           278           279           280 
      1   0.945902D-01  0.249500D+01  0.487168D+00 -0.115193D+01  0.617543D-01
      2   0.194420D+00  0.487168D+00  0.656811D+00 -0.388923D-01 -0.657417D+00
      3   0.247623D+00 -0.115193D+01 -0.388923D-01  0.492956D-01  0.307776D+00
               281           282           283           284           285 
      1  -0.657417D+00  0.307776D+00 -0.164150D+01 -0.373924D+00 -0.448522D-01
      2   0.215704D+01  0.238577D+00 -0.373924D+00 -0.853857D+01 -0.609901D-01
      3   0.238577D+00  0.413114D+00 -0.448522D-01 -0.609901D-01 -0.992157D+00
               286           287           288           289           290 
      1   0.105185D+01  0.333855D+00  0.583834D-02 -0.390856D+00  0.270273D+00
      2   0.333855D+00  0.127387D+01 -0.714231D+00  0.270273D+00  0.465638D+00
      3   0.583834D-02 -0.714231D+00 -0.120856D+00 -0.465792D+00  0.210260D+00
               291           292           293           294           295 
      1  -0.465792D+00  0.124745D+01  0.315602D+00  0.203921D+00 -0.219601D+01
      2   0.210260D+00  0.315602D+00  0.152452D+00 -0.337770D+00 -0.400921D+00
      3   0.292292D+00  0.203921D+00 -0.337770D+00  0.767861D+00 -0.834084D+00
               296           297 
      1  -0.400921D+00 -0.834084D+00
      2  -0.151291D+01 -0.294457D+00
      3  -0.294457D+00 -0.625924D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.247334D+01 -0.222136D+01  0.158994D+01 -0.782870D+01 -0.212681D+01
      2   0.343431D+01 -0.230745D+01  0.870539D+01 -0.229603D+01  0.217215D+01
      3   0.186145D+02 -0.151672D+01  0.271650D+01  0.743320D+01 -0.186523D+01
                 6             7             8             9            10 
      1  -0.249478D+01 -0.768358D+00  0.197630D+01  0.149214D+00 -0.431063D+01
      2  -0.347198D+01 -0.432386D+01 -0.105882D+01  0.232775D+01 -0.185324D+00
      3   0.269880D+01  0.149424D+02  0.442160D+00  0.240125D+01 -0.385216D+02
                11            12            13            14            15 
      1  -0.492473D+00  0.114310D+01  0.274720D+01  0.426604D+01 -0.884887D+01
      2   0.612732D+00 -0.258892D+01  0.508505D+01  0.159746D+00  0.181692D+00
      3  -0.132669D+01  0.151554D+01  0.108608D+02 -0.188874D+01 -0.984169D+00
                16            17            18            19            20 
      1  -0.416204D+01 -0.214672D+01 -0.465929D+01 -0.650751D+00  0.130386D+01
      2  -0.232458D+02 -0.160891D+01 -0.337986D+01 -0.431290D+01 -0.210067D+01
      3   0.108096D+01 -0.149182D+01 -0.453152D+00 -0.107752D+02 -0.184067D+01
                21            22            23            24            25 
      1  -0.139284D+01  0.574658D+01 -0.203340D+01 -0.326252D+01  0.524880D+01
      2   0.349327D+01 -0.411581D+01 -0.211590D+01  0.117198D+01 -0.152804D+01
      3   0.271932D+01  0.802366D+01  0.118198D+01 -0.222265D+01  0.190159D+02
                26            27            28            29            30 
      1   0.131937D+01 -0.192919D+01  0.241983D+01  0.826642D+00 -0.340682D+01
      2   0.563995D+00 -0.212678D+01  0.278149D-01  0.212505D+01 -0.418628D+01
      3  -0.919245D+00 -0.451268D+01  0.316609D+02  0.112294D+01 -0.296231D+01
                31            32            33            34            35 
      1  -0.161699D+01  0.479275D+01 -0.855919D+01 -0.607582D+01 -0.815128D+00
      2   0.481659D+01 -0.628061D+00  0.228175D+01 -0.256081D+02  0.388171D+01
      3   0.845183D+01  0.573938D+01  0.926916D+00 -0.682523D+01 -0.205606D+01
                36            37            38            39            40 
      1  -0.308476D+01 -0.364833D+01 -0.553141D+00 -0.114256D+01 -0.506545D+01
      2   0.727998D-01 -0.106256D+01 -0.232313D+01  0.774689D+01 -0.353282D+01
      3   0.265751D+01 -0.150101D+02 -0.171592D+00  0.281101D+01  0.149418D+02
                41            42            43            44            45 
      1   0.144095D+01  0.888213D+00 -0.218823D+01  0.346199D+01  0.251899D+01
      2   0.180623D+01 -0.219304D+01 -0.643086D+01 -0.861095D+00  0.200287D+01
      3  -0.299283D+00  0.205464D+01 -0.112565D+02  0.412297D+01  0.126385D+01
                46            47            48            49            50 
      1   0.300818D+01  0.142448D+01  0.288878D+01  0.980549D+01  0.149313D+01
      2  -0.134209D+01 -0.197882D+01  0.325391D+01 -0.420310D+01 -0.187822D+01
      3   0.150715D+02 -0.217917D+01 -0.103503D+01  0.131270D+02  0.169383D+01
                51            52            53            54            55 
      1  -0.242765D+01  0.231398D+01  0.346779D+01 -0.393958D-01  0.218259D+01
      2   0.891816D+00 -0.385169D+01  0.614188D+00 -0.246083D+00 -0.718785D+01
      3  -0.519377D+01 -0.135875D+02 -0.192242D+01 -0.132059D+01  0.257584D+02
                56            57            58            59            60 
      1   0.171005D+01 -0.167434D+00  0.398185D+01 -0.342646D+01  0.305854D+01
      2  -0.380910D+00 -0.315445D+01 -0.379709D+01 -0.118782D+02  0.813844D+01
      3   0.124277D+02 -0.337296D+00  0.389712D+02  0.717216D+01  0.784136D+01
                61            62            63            64            65 
      1  -0.293497D+00  0.799961D+01  0.462959D+01 -0.204758D+01 -0.558676D-01
      2  -0.197642D+02  0.941067D+01  0.164506D+02  0.121254D+02 -0.401450D+00
      3   0.306475D+01  0.103223D+02 -0.526130D+01 -0.285700D+02 -0.153025D+02
                66            67            68            69            70 
      1  -0.739332D+00 -0.337441D+01 -0.224929D+01 -0.263588D+01  0.263448D+01
      2   0.584085D+01  0.448145D+01  0.151977D+02 -0.112452D+02 -0.135382D+01
      3   0.198962D+01 -0.267424D+02 -0.755851D+01 -0.129127D+02 -0.576645D+01
                71            72            73            74            75 
      1   0.479467D+01  0.182819D+01 -0.213354D+01 -0.641617D+01  0.641183D+00
      2  -0.920022D+01 -0.172550D+02 -0.185557D+02  0.564965D+01  0.370375D+01
      3  -0.139565D+02  0.692705D+01  0.181432D+02  0.946668D+01 -0.276436D+01
                76            77            78            79            80 
      1  -0.926992D+01  0.195352D+01 -0.140205D+02  0.476703D+00 -0.728535D+01
      2   0.687370D+01 -0.108110D+02  0.112164D+02  0.383200D+01  0.924991D+01
      3   0.180559D+02  0.976987D+00  0.170846D+02 -0.267431D+01  0.132287D+02
                81            82            83            84            85 
      1   0.325065D+01  0.646889D+01  0.413283D+01  0.136053D+01  0.586208D+01
      2   0.105337D+02 -0.200720D+00 -0.406300D+01 -0.221923D+01 -0.726441D+01
      3  -0.895989D+01  0.254222D+02  0.326855D+01 -0.236392D+01  0.712890D+01
                86            87            88            89            90 
      1   0.907981D+01 -0.429537D+01  0.306696D+01  0.305427D+01 -0.165148D+02
      2  -0.135027D+02  0.103680D+02 -0.570183D+01  0.618607D+01  0.217415D+02
      3   0.204435D+01  0.959309D+01  0.666946D+00  0.106393D+02 -0.630993D+01
                91            92            93            94            95 
      1   0.200297D+00  0.371066D+00  0.222210D+01  0.183399D+01 -0.238984D+01
      2  -0.420506D+01 -0.333961D+01  0.112779D+00 -0.338444D+01 -0.205512D+01
      3  -0.418276D+01 -0.729688D+00  0.308654D+01  0.322045D+02 -0.172226D+02
                96            97            98            99           100 
      1  -0.362648D+01  0.241353D+01  0.505107D+01 -0.114678D+01 -0.530035D+00
      2  -0.665992D+01 -0.151320D+02 -0.565968D+01  0.155584D+02  0.302995D+01
      3  -0.199190D+01  0.215504D+01  0.338014D+01  0.457520D+01  0.113476D+02
               101           102           103           104           105 
      1  -0.634720D+01 -0.575566D+01  0.269055D-01  0.401265D+00  0.343970D+01
      2   0.338528D+01  0.512111D+01  0.143064D+01  0.274429D+01  0.145497D+02
      3  -0.124746D+02 -0.551876D+01 -0.838013D+01  0.378343D+01  0.176217D+01
               106           107           108           109           110 
      1  -0.679647D+01 -0.129919D+01 -0.441008D+01  0.450770D+01  0.308811D+01
      2  -0.335702D+01  0.976720D+01 -0.163553D+02  0.907989D+01 -0.255993D+01
      3  -0.117195D+02  0.176315D+02 -0.617933D+01 -0.502343D+00 -0.537841D+01
               111           112           113           114           115 
      1   0.424378D+01 -0.613937D+00 -0.264432D+00 -0.773514D+01  0.395287D+01
      2   0.861247D+01 -0.447005D+00  0.665944D+01 -0.112436D+02  0.332263D+01
      3   0.495252D+00 -0.380719D+01  0.119610D+02 -0.699535D+01  0.118249D+02
               116           117           118           119           120 
      1   0.598698D+01  0.118999D+02 -0.371716D+01  0.270786D+01  0.112154D-01
      2  -0.614533D+01  0.291557D+02 -0.593679D+01 -0.121879D+01  0.222851D+00
      3  -0.209101D+02  0.570257D+01 -0.350790D+00  0.676814D+01  0.460254D+01
               121           122           123           124           125 
      1   0.866813D+00 -0.492050D+01 -0.239314D+01 -0.178924D+01  0.764607D+01
      2  -0.249372D+01 -0.410448D+01 -0.187474D+01 -0.174335D+01 -0.828695D+01
      3   0.831756D+01 -0.171129D+02  0.246680D+01 -0.967721D+00  0.721989D+01
               126           127           128           129           130 
      1  -0.694311D+01 -0.245460D+01 -0.227103D+01  0.117473D+01 -0.510542D+00
      2  -0.155672D+02  0.489297D+01  0.128905D+01 -0.907078D+00  0.539484D+00
      3   0.879695D+01 -0.534892D+00 -0.895940D+00  0.884075D+00  0.964830D+00
               131           132           133           134           135 
      1  -0.141899D+01 -0.179867D+00  0.341972D+01  0.572718D+01 -0.533214D+01
      2   0.126936D+00  0.415191D+00 -0.556304D+01 -0.706826D+00 -0.208079D+01
      3  -0.250460D+00  0.268051D+00  0.115822D+01  0.232108D+01 -0.164098D+01
               136           137           138           139           140 
      1  -0.267201D+01  0.336500D+01 -0.756988D+00  0.116853D+01 -0.150767D+01
      2  -0.877389D+01  0.194260D+01 -0.860278D+00  0.240788D+01 -0.747002D+00
      3   0.618641D+00 -0.164031D+01  0.897420D+00  0.628265D+00  0.125726D+01
               141           142           143           144           145 
      1  -0.568540D+00 -0.193649D+01  0.425389D+01 -0.271989D+01  0.194455D+01
      2   0.160903D+00 -0.459968D+01  0.642297D+00  0.590676D+00  0.436076D+01
      3  -0.474096D+00  0.748020D+00 -0.275319D+01  0.169016D+01  0.308981D+01
               146           147           148           149           150 
      1  -0.993610D+00 -0.255046D+01  0.101296D+01  0.102805D+00 -0.380295D+01
      2   0.310729D+00 -0.773679D+00  0.382926D+00 -0.860751D-01  0.597280D+00
      3   0.265308D-01 -0.213603D+01  0.188295D+01 -0.332250D+00 -0.648166D+00
               151           152           153           154           155 
      1  -0.180288D+01  0.240617D+01  0.603957D+01  0.302340D+01  0.150967D+01
      2  -0.494914D+01 -0.475553D+00 -0.838670D+00 -0.495421D+01 -0.120677D+00
      3  -0.273987D+01  0.680630D+00  0.234874D+01 -0.587493D+01 -0.124351D+01
               156           157           158           159           160 
      1   0.287356D+01 -0.185695D+01  0.238151D+00 -0.382893D+01  0.288744D+01
      2  -0.440716D-02  0.158753D+01  0.133779D+00 -0.128478D+01 -0.284807D+01
      3  -0.242634D+01  0.444496D+01  0.730187D+00  0.909554D+00 -0.335518D+01
               161           162           163           164           165 
      1   0.136815D+01  0.479738D+01 -0.121460D+01 -0.595455D+00  0.137720D+01
      2  -0.425472D+00  0.198528D+01 -0.580639D+01  0.745322D+00  0.543886D+01
      3  -0.157736D+01 -0.181747D+01 -0.129576D+01 -0.405936D+01  0.676038D+00
               166           167           168           169           170 
      1  -0.350016D+00 -0.875680D-01 -0.222727D+01  0.271095D+01  0.128847D+01
      2   0.173761D+01 -0.284211D+01 -0.459506D+01  0.463050D+01 -0.878040D+01
      3  -0.488303D+01  0.219046D+01  0.277274D+01  0.388010D+01  0.603588D+01
               171           172           173           174           175 
      1  -0.726432D+01  0.174388D+01 -0.142836D+01  0.185091D+01 -0.241943D+01
      2  -0.223710D+02  0.656722D+01 -0.244131D+01  0.488503D+01 -0.298953D+01
      3   0.410177D+01  0.231834D+01 -0.745369D+01  0.127918D+00 -0.485859D+01
               176           177           178           179           180 
      1   0.419804D+01 -0.495721D+01  0.159193D+01 -0.207576D+01  0.283654D+01
      2   0.712749D+01 -0.568676D+01  0.392217D+01 -0.627701D+01  0.376322D+01
      3   0.154830D+02 -0.366101D+01 -0.334024D+01 -0.902884D+01  0.354974D+01
               181           182           183           184           185 
      1   0.254598D+00 -0.606273D+00 -0.244221D+00  0.122216D+00  0.498515D+00
      2  -0.361985D+01  0.602127D+00  0.992457D+01 -0.515581D+00 -0.318357D+01
      3   0.558583D+01 -0.919777D+01 -0.901580D+00 -0.134972D+01  0.465985D+01
               186           187           188           189           190 
      1  -0.103057D+01 -0.383569D+00  0.118632D+01 -0.165407D+00  0.335288D+01
      2  -0.239151D+00  0.575291D+01  0.498221D+00 -0.730795D+00  0.254648D+01
      3   0.336399D+01  0.691693D+00  0.433594D+01 -0.771871D+00 -0.910260D+01
               191           192           193           194           195 
      1   0.531208D+01 -0.571712D+00  0.550667D+01  0.724835D+01  0.169099D-01
      2   0.457222D+00  0.661672D+01 -0.481527D-01  0.488643D+01  0.754826D+01
      3  -0.119607D+02 -0.369428D+01 -0.102516D+02 -0.187175D+02 -0.924325D+01
               196           197           198           199           200 
      1   0.118990D+01  0.310753D+01  0.636501D+00 -0.228214D+01  0.333106D+01
      2   0.215523D+01  0.272043D+01  0.355159D+01  0.536182D+01 -0.153876D+01
      3  -0.175008D+01 -0.539421D+01 -0.376967D+01  0.243477D+01 -0.618968D+01
               201           202           203           204           205 
      1  -0.188268D+01  0.275201D+01 -0.998214D+01  0.509162D+01 -0.209906D+01
      2   0.495842D+01 -0.116163D+01  0.901370D+01 -0.140807D+02  0.870457D+00
      3   0.316784D+01 -0.318527D+01  0.150638D+02 -0.101913D+02  0.241848D+01
               206           207           208           209           210 
      1   0.795996D+01 -0.552778D+01 -0.178251D+01 -0.288881D+01  0.141395D+01
      2  -0.748347D+01  0.131949D+02  0.204819D+02 -0.348419D+01 -0.868595D+01
      3  -0.911106D+01  0.827096D+01 -0.956512D+01  0.377973D+01  0.409818D+01
               211           212           213           214           215 
      1  -0.114426D+01  0.305867D+00 -0.137937D+00  0.990862D+00  0.222673D+01
      2  -0.288082D+01  0.480321D+01  0.239993D+01 -0.830354D+01  0.105038D+01
      3   0.407383D+01 -0.295346D+01 -0.345267D+01  0.213322D+01 -0.224795D+01
               216           217           218           219           220 
      1  -0.318793D+00 -0.883480D+00  0.217801D+01  0.294239D+01  0.109791D+01
      2   0.542033D+01 -0.763059D+01  0.198567D+01 -0.151174D+01  0.189009D+01
      3  -0.148070D+01 -0.215967D+02  0.783747D+01  0.682104D-01  0.709849D+01
               221           222           223           224           225 
      1  -0.161963D+01 -0.121050D+01  0.163241D+01  0.571519D+00  0.734492D-01
      2  -0.937962D+00 -0.101910D+00 -0.285100D+01 -0.105545D+00 -0.180994D+01
      3  -0.656099D+01 -0.617104D+00  0.185828D+01 -0.287390D+01 -0.152958D+01
               226           227           228           229           230 
      1   0.127999D+01 -0.576221D+00 -0.140451D+01 -0.190110D+00  0.171016D+01
      2  -0.446502D+01 -0.234849D+00  0.306165D+01 -0.536452D+00 -0.176718D+01
      3  -0.257046D+01 -0.231130D+01 -0.807497D+00 -0.181329D+00  0.110300D+01
               231           232           233           234           235 
      1   0.177350D+01 -0.127226D+01  0.496968D+01  0.160890D+02 -0.432406D+01
      2  -0.469898D+01 -0.107761D+01  0.106612D+01 -0.312597D+02  0.367527D+01
      3   0.167866D+01 -0.124869D+01  0.524193D+01 -0.202247D+01 -0.722188D+01
               236           237           238           239           240 
      1  -0.469711D+01 -0.340454D+01 -0.557652D+01 -0.850366D+01 -0.423115D+01
      2   0.264180D+01  0.576523D+01  0.364937D+01  0.399617D+01  0.411610D+01
      3  -0.117296D+02  0.122803D+01 -0.617098D+01 -0.213349D+02  0.218165D+00
               241           242           243           244           245 
      1  -0.224669D+01 -0.163440D+01 -0.862062D+00  0.133899D+00 -0.331901D+00
      2   0.332641D+01  0.276099D+01  0.204733D+00 -0.559003D+01  0.162232D+00
      3  -0.815503D+00 -0.554288D+01 -0.127650D+01 -0.290804D+01 -0.173105D+01
               246           247           248           249           250 
      1  -0.838060D+00  0.248774D-01 -0.871525D-01 -0.109813D+01 -0.133355D+01
      2   0.383426D+01  0.521339D+00 -0.261464D+01  0.423942D+01  0.567348D+00
      3  -0.453854D+00 -0.383421D+00 -0.103090D+01  0.277529D+01 -0.143797D+01
               251           252           253           254           255 
      1   0.293290D+01  0.313708D+01 -0.198072D+01  0.109909D+01 -0.207279D+01
      2   0.377400D+01 -0.182745D+02  0.153814D+02  0.343139D+01  0.614133D+01
      3   0.417975D+01 -0.217337D+01 -0.161415D+02 -0.147954D+02  0.206263D+00
               256           257           258           259           260 
      1  -0.119591D+01 -0.589951D+01 -0.349790D+01 -0.638491D+00  0.114532D+01
      2   0.418041D+01  0.413009D+01  0.584438D+01  0.429496D+01  0.464479D+01
      3  -0.578009D+01  0.219425D+02 -0.318931D+01  0.207349D+01 -0.589099D+01
               261           262           263           264           265 
      1   0.901148D+01  0.592842D+00 -0.108599D+01  0.887722D+00 -0.254842D+01
      2  -0.189448D+02 -0.958324D+00  0.647410D+00  0.114542D+01  0.916368D-01
      3  -0.436112D+01  0.302147D+01 -0.452991D+01 -0.184566D+01 -0.385108D+01
               266           267           268           269           270 
      1   0.890683D+01 -0.263837D+01  0.246295D+00 -0.527285D+00  0.109235D+01
      2  -0.450807D+01 -0.603620D+01  0.180481D+00 -0.152697D+01 -0.117105D+01
      3   0.303376D+02  0.654298D+01  0.128456D+01 -0.518633D+01  0.151301D+01
               271           272           273           274           275 
      1   0.121968D+01  0.632286D+00 -0.235779D+01  0.744564D+00  0.601844D+00
      2  -0.828798D+01 -0.218159D+00  0.843516D+01 -0.677642D+00 -0.126382D+01
      3   0.153095D+02 -0.654359D+01 -0.116263D+01 -0.354226D+01 -0.515877D+00
               276           277           278           279           280 
      1  -0.147628D+00 -0.185563D+01  0.680681D+00 -0.418657D-01  0.136352D+01
      2  -0.689921D+00  0.416064D+01 -0.181803D+00 -0.272738D+00 -0.107005D+01
      3   0.833237D+00 -0.179595D+01  0.202806D+01  0.171170D+01 -0.458131D+01
               281           282           283           284           285 
      1  -0.774105D+00  0.165627D+01 -0.339366D+00  0.518676D+01 -0.435607D+01
      2  -0.955937D+00 -0.131796D+01 -0.868746D+00  0.255955D+00  0.338052D+01
      3   0.798456D+01 -0.137689D+00  0.490635D+01 -0.305555D+02  0.330916D+00
               286           287           288           289           290 
      1   0.610776D+00 -0.853314D+00  0.345695D+00 -0.153792D+01 -0.657021D+00
      2  -0.157371D+01  0.229776D+01  0.528198D+00  0.406580D+01 -0.550847D-01
      3  -0.127420D+01  0.399131D+01 -0.250986D+01  0.138472D+01  0.890894D+00
               291           292           293           294           295 
      1   0.411043D+00 -0.285333D+00 -0.217323D+01  0.861781D+00 -0.220803D+00
      2  -0.172765D+01  0.153728D+01  0.171081D+01 -0.339967D+01 -0.215087D+01
      3   0.991223D+00  0.792559D+00  0.402769D+00 -0.145795D+01  0.155804D+01
               296           297 
      1   0.368317D+01 -0.111102D+02
      2   0.130874D+00  0.247154D+02
      3  -0.493873D+01  0.840027D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.568256D+00 -0.656850D+01  0.172839D+02  0.147102D+02 -0.151129D+01
      2   0.759499D+01  0.293009D+01 -0.709429D+01 -0.424673D+01  0.238836D+01
      3  -0.702674D+01  0.363841D+01 -0.101896D+02 -0.104634D+02 -0.877072D+00
      4   0.952956D+00  0.263091D+01 -0.119895D+01  0.923928D+01  0.576696D+01
      5   0.188983D+02 -0.165735D+00 -0.774211D+01 -0.921114D+01 -0.354488D+01
      6  -0.623263D+00 -0.320333D+01  0.101888D+01 -0.139098D+01  0.385045D+01
                 6             7             8             9            10 
      1  -0.177342D+02 -0.226285D+02 -0.848335D+01  0.375646D+01  0.552043D+02
      2   0.231244D+01  0.409472D+01  0.179864D+01  0.454428D+01 -0.272617D+02
      3   0.154217D+02  0.185338D+02  0.668472D+01 -0.830074D+01 -0.279425D+02
      4  -0.424649D+01  0.499408D+01 -0.216439D+01 -0.427391D+01 -0.114124D+02
      5  -0.246185D+01  0.855219D+01 -0.374407D+01  0.648995D+01 -0.110007D+02
      6   0.126698D+02 -0.598202D+01  0.563220D+01  0.136082D+02  0.327848D+01
                11            12            13            14            15 
      1   0.828803D+01 -0.236319D+01  0.131435D+02 -0.208882D+01  0.459939D+01
      2  -0.803613D+01  0.430780D+01 -0.136050D+02  0.692219D+01 -0.932258D+00
      3  -0.251907D+00 -0.194461D+01  0.461449D+00 -0.483337D+01 -0.366713D+01
      4   0.711257D+00 -0.400177D+01  0.167506D+02 -0.801088D+01 -0.754871D+00
      5  -0.482657D+01  0.892309D+01  0.116648D+02 -0.173227D+00 -0.349421D+01
      6   0.108370D+01 -0.719158D+01 -0.455323D+01  0.396540D+01  0.931609D+01
                16            17            18            19            20 
      1  -0.859739D+01  0.383746D+01 -0.170554D+02 -0.937450D+00  0.331244D+01
      2  -0.543535D+00  0.532481D+01  0.177498D+01 -0.310870D+01 -0.162736D+01
      3   0.914092D+01 -0.916227D+01  0.152805D+02  0.404615D+01 -0.168508D+01
      4   0.121518D+02  0.582273D+00 -0.440843D+01  0.198836D+01 -0.397184D-01
      5  -0.115983D+02 -0.390856D+01 -0.413986D+01 -0.158958D+02  0.312657D+01
      6  -0.642291D+01  0.200293D+01 -0.329745D+01  0.394517D+01  0.485624D+01
                21            22            23            24            25 
      1  -0.217344D+02 -0.948954D+01 -0.563173D+01 -0.496517D+01  0.221081D+02
      2   0.588444D+01 -0.183178D+01  0.600797D+01 -0.248115D+00  0.929282D-01
      3   0.158499D+02  0.113213D+02 -0.376243D+00  0.521329D+01 -0.222011D+02
      4   0.351258D+01  0.333000D+01 -0.932093D+00  0.321899D+01  0.463648D+01
      5  -0.886550D+00  0.195348D+01  0.111504D+01  0.692472D+01  0.119369D+02
      6   0.575878D+01  0.288681D+01  0.246824D+01  0.781039D+01  0.988223D+01
                26            27            28            29            30 
      1  -0.802765D+01  0.535308D+01  0.196926D+02 -0.198109D+01  0.135350D+01
      2   0.147846D+01 -0.210677D+01 -0.334153D+01  0.634301D+01  0.905621D+00
      3   0.654919D+01 -0.324631D+01 -0.163511D+02 -0.436192D+01 -0.225912D+01
      4   0.325953D+01  0.605141D+01  0.255987D+02  0.229764D+00 -0.239166D+01
      5   0.482839D+01 -0.567715D+01  0.369872D+01 -0.184713D+01  0.560100D+01
      6   0.184091D+01  0.994837D+01  0.349335D+01 -0.109908D+01  0.511136D+01
                31            32            33            34            35 
      1  -0.907073D+00 -0.118941D+01  0.611808D+01 -0.667414D+01  0.874054D+01
      2   0.637225D+01  0.483169D+01 -0.173369D+01  0.132272D+01  0.284864D+01
      3  -0.546518D+01 -0.364228D+01 -0.438439D+01  0.535142D+01 -0.115892D+02
      4   0.147448D+02  0.171905D+00  0.150227D+01  0.993329D+01  0.515934D+01
      5   0.102925D+02  0.638263D+00  0.979083D+00 -0.145461D+02  0.266019D+01
      6  -0.879732D+00  0.371603D+01  0.581320D+01 -0.101869D+01  0.153577D+01
                36            37            38            39            40 
      1  -0.154179D+02  0.596902D+01 -0.120327D+02  0.181319D+02  0.434099D+01
      2   0.192947D+01  0.609398D+00  0.123692D+02 -0.115867D+02  0.431352D+01
      3   0.134884D+02 -0.657842D+01 -0.336493D+00 -0.654519D+01 -0.865451D+01
      4   0.172347D+01 -0.901797D+01 -0.818137D+00  0.343029D+01  0.155821D+02
      5  -0.162558D+01  0.954065D+01  0.229789D+01 -0.103820D+02 -0.183479D+01
      6  -0.754805D+01 -0.999920D+00 -0.543354D+01  0.521400D+01 -0.104465D+00
                41            42            43            44            45 
      1  -0.103965D+02 -0.618675D+01 -0.182933D+02 -0.408371D+01  0.757783D+01
      2   0.170061D+02 -0.105837D+02  0.120696D+01 -0.306191D+01 -0.635434D+00
      3  -0.660958D+01  0.167704D+02  0.170863D+02  0.714562D+01 -0.694240D+01
      4   0.598658D+01 -0.221937D+01 -0.221356D+01 -0.202567D+01 -0.676609D+01
      5  -0.106312D+01 -0.147923D+01  0.531106D+01 -0.570604D+01  0.924278D+01
      6  -0.653365D+01  0.481172D+01 -0.999496D+01  0.449218D+00  0.901470D+01
                46            47            48            49            50 
      1  -0.479343D+01  0.953059D+01 -0.204032D+02 -0.182335D+01 -0.139128D+02
      2   0.149056D+01 -0.802701D+01  0.614646D+01 -0.676996D+01  0.229243D+02
      3   0.330287D+01 -0.150358D+01  0.142567D+02  0.859331D+01 -0.901145D+01
      4   0.108801D+02 -0.183119D+00  0.554739D+01  0.872618D+01 -0.587217D+01
      5  -0.939733D+01  0.589630D+01 -0.139359D+01  0.104422D+02  0.214655D+01
      6   0.445823D+01  0.387130D+01 -0.397684D+01 -0.191843D+01 -0.563442D+01
                51            52            53            54            55 
      1   0.631278D+01  0.357085D+02 -0.246155D+01  0.891768D+01 -0.322605D+02
      2  -0.117057D+02 -0.117473D+02 -0.484409D+00 -0.609808D+01  0.145798D+02
      3   0.539288D+01 -0.239612D+02  0.294596D+01 -0.281961D+01  0.176807D+02
      4   0.941557D+00 -0.267011D+01 -0.208364D+00  0.765762D+01 -0.481202D+01
      5   0.758138D+01  0.365275D+01  0.694956D+01 -0.470559D+01 -0.363773D+01
      6   0.366772D+01  0.114000D+02 -0.331271D+01  0.638719D+01  0.243299D+00
                56            57            58            59            60 
      1  -0.927251D+01 -0.482624D+01 -0.337623D+02 -0.227154D+02  0.217175D+01
      2   0.697379D+01  0.684331D-01  0.246215D+02  0.448090D+01  0.596473D+01
      3   0.229871D+01  0.475781D+01  0.914075D+01  0.182345D+02 -0.813648D+01
      4  -0.269834D+02  0.110288D+01 -0.450652D+02  0.170987D+02 -0.153019D+02
      5   0.877716D+00 -0.126844D+02  0.256332D+00 -0.148110D+02  0.147654D+02
      6   0.158682D+00  0.147494D+01 -0.455362D+00  0.401321D+01 -0.512835D+01
                61            62            63            64            65 
      1  -0.148267D+02  0.153962D+01 -0.891616D+00 -0.870486D+02  0.301048D+02
      2  -0.280249D+01  0.747452D+01  0.716946D+01  0.476654D+02 -0.137209D+02
      3   0.176292D+02 -0.901414D+01 -0.627784D+01  0.393832D+02 -0.163838D+02
      4   0.152970D-01 -0.197918D+02  0.260538D+02  0.286098D+02  0.237690D+02
      5  -0.235523D+02  0.228399D+02  0.379345D+02  0.255388D+02 -0.295618D+01
      6   0.116095D+02 -0.521669D+01 -0.115782D+02  0.108057D+01 -0.288933D+01
                66            67            68            69            70 
      1   0.251103D+02  0.635339D+02  0.221449D+02 -0.827189D+01  0.363390D+02
      2  -0.140257D+02 -0.295176D+02 -0.102117D+02  0.817676D+01 -0.145725D+02
      3  -0.110847D+02 -0.340163D+02 -0.119333D+02  0.951248D-01 -0.217665D+02
      4  -0.166200D+01  0.293861D+02  0.758598D+01  0.235364D+02  0.228995D+01
      5   0.655022D+01 -0.272871D+01  0.246981D+02 -0.203778D+02 -0.184763D+01
      6   0.128929D+01  0.253869D+01  0.668319D+01 -0.369506D+01 -0.302312D+01
                71            72            73            74            75 
      1  -0.423756D+01  0.467038D-01  0.358318D+02 -0.245067D+02 -0.210002D+02
      2   0.808829D+01  0.296859D-01 -0.187962D+02  0.607247D+01  0.109418D+02
      3  -0.385074D+01 -0.763897D-01 -0.170356D+02  0.184342D+02  0.100585D+02
      4   0.215297D+02 -0.156726D+02 -0.230688D+02 -0.319790D+02 -0.554558D+01
      5  -0.158119D+02 -0.324747D+02 -0.125953D+02 -0.767513D+01 -0.171153D+02
      6  -0.455500D+01 -0.490875D+01 -0.151074D+02 -0.886979D+01 -0.967595D-01
                76            77            78            79            80 
      1  -0.320959D+02 -0.285052D+02 -0.105380D+01 -0.240129D+02  0.144535D+01
      2   0.794434D+01  0.189096D+02 -0.114807D+02  0.116572D+02 -0.113539D+02
      3   0.241515D+02  0.959560D+01  0.125345D+02  0.123557D+02  0.990858D+01
      4  -0.420177D+02 -0.103306D+02 -0.381901D+02 -0.225093D+01 -0.278925D+02
      5  -0.886727D+01 -0.447270D+02  0.213368D+02 -0.105153D+02  0.183976D+02
      6  -0.151646D+02 -0.531183D+01 -0.105065D+02  0.186530D+01 -0.911387D+01
                81            82            83            84            85 
      1  -0.947778D+01  0.361718D+02 -0.228610D+02 -0.127112D+02 -0.308694D+02
      2  -0.746109D+00 -0.360679D+02  0.947008D+00  0.652449D+01  0.166589D+01
      3   0.102239D+02 -0.103916D+00  0.219140D+02  0.618667D+01  0.292035D+02
      4   0.162287D+02 -0.187645D+02 -0.382535D+02 -0.139254D+01 -0.394162D+02
      5   0.108392D+02 -0.158086D+02  0.527347D+01 -0.339168D+01  0.333470D+01
      6   0.121082D+02  0.386368D+00  0.398011D+01 -0.226387D+01  0.260227D+01
                86            87            88            89            90 
      1  -0.262384D+02  0.782841D+01 -0.143050D+02  0.191620D+01  0.248548D+01
      2   0.106902D+00 -0.634050D+01  0.151027D+01 -0.695735D+01  0.221073D+02
      3   0.261315D+02 -0.148791D+01  0.127947D+02  0.504115D+01 -0.245928D+02
      4  -0.321003D+02 -0.148420D+02 -0.107003D+02 -0.212592D+02  0.898288D+01
      5  -0.126851D+02  0.198028D+02 -0.271519D+01  0.118193D+02  0.508011D+02
      6  -0.673237D+01  0.103414D+02 -0.119151D+01  0.944264D+01  0.116573D+02
                91            92            93            94            95 
      1   0.718153D+01 -0.311883D+01 -0.119270D+01 -0.131029D+02 -0.144260D+02
      2  -0.779246D+01 -0.293469D+01 -0.950443D+00  0.781692D+01  0.574333D+01
      3   0.610932D+00  0.605352D+01  0.214315D+01  0.528596D+01  0.868267D+01
      4  -0.209197D+02 -0.130255D+02 -0.737267D+01 -0.366601D+02  0.172788D+02
      5  -0.722950D+01 -0.673673D+01 -0.783684D+01 -0.123519D+02 -0.362928D+00
      6  -0.483958D+01 -0.223844D+01 -0.466481D+01 -0.192833D+01 -0.471008D+01
                96            97            98            99           100 
      1  -0.635872D+01 -0.154365D+02 -0.905976D+01 -0.100371D+01 -0.335094D+01
      2   0.315561D+00  0.599479D+00 -0.186107D+01  0.754312D+01 -0.106554D+01
      3   0.604316D+01  0.148370D+02  0.109208D+02 -0.653941D+01  0.441648D+01
      4   0.282551D+00 -0.192984D+02 -0.103127D+02 -0.144318D+02  0.142570D+02
      5  -0.131051D+02 -0.138983D+02 -0.137407D+02  0.305861D+02 -0.153865D+02
      6  -0.224383D+01 -0.738820D+01 -0.245236D+01  0.887909D+01  0.531396D+01
               101           102           103           104           105 
      1   0.581903D+01 -0.667555D+01  0.200735D+02  0.270700D+01  0.106296D+02
      2   0.122328D+01  0.518023D+01 -0.157187D+02  0.481431D+01 -0.302760D+01
      3  -0.704231D+01  0.149532D+01 -0.435483D+01 -0.752131D+01 -0.760199D+01
      4  -0.503439D+01  0.738489D+01 -0.190535D+01 -0.172534D+02 -0.247552D+01
      5   0.673237D+01 -0.255585D+01  0.677031D+01 -0.165007D+01  0.271613D+02
      6  -0.588700D+01  0.600723D+01 -0.146303D+01 -0.242589D+01 -0.174539D+02
               106           107           108           109           110 
      1  -0.232724D+02  0.103018D+02 -0.472907D+01  0.425270D+02 -0.131464D+02
      2   0.642188D+01  0.789010D+01  0.325883D+01 -0.194294D+02  0.331845D+01
      3   0.168505D+02 -0.181919D+02  0.147024D+01 -0.230976D+02  0.982791D+01
      4   0.237071D+02 -0.277227D+02  0.209772D+02 -0.257316D+02  0.223518D+02
      5  -0.200769D+02  0.187351D+02 -0.207331D+02  0.305884D+02 -0.619377D+01
      6   0.118452D+02 -0.188351D+02  0.445855D+01 -0.116905D+02  0.428921D+01
               111           112           113           114           115 
      1   0.235074D+02 -0.155278D+02  0.276597D+01 -0.213079D+01  0.387704D+02
      2  -0.139782D+02  0.232116D+01  0.927458D+01 -0.836931D+00 -0.176527D+02
      3  -0.952914D+01  0.132066D+02 -0.120405D+02  0.296772D+01 -0.211177D+02
      4  -0.105123D+02  0.249576D+02 -0.235965D+02  0.168708D+02 -0.258059D+02
      5   0.216779D+02 -0.124447D+02  0.158661D+02 -0.209586D+02  0.348355D+02
      6  -0.757522D+01  0.621706D+01 -0.117267D+02  0.186059D+02 -0.119414D+02
               116           117           118           119           120 
      1  -0.349508D+01  0.988980D+01 -0.673342D+00 -0.109698D+02 -0.133065D+02
      2  -0.696774D+01 -0.139271D+02 -0.227017D+01  0.127809D+02  0.816766D+01
      3   0.104628D+02  0.403731D+01  0.294352D+01 -0.181108D+01  0.513887D+01
      4   0.366580D+02 -0.190884D+02  0.205046D+00 -0.518471D+01  0.354246D+01
      5  -0.172163D+02  0.559004D+02 -0.834976D+01 -0.126621D+01  0.591023D+01
      6   0.177364D+02 -0.274459D+02  0.401926D+01  0.568896D+01  0.145874D+01
               121           122           123           124           125 
      1  -0.457202D+01 -0.360436D+01 -0.573487D+01 -0.121534D+02 -0.884870D+01
      2   0.137148D+02 -0.200419D+02  0.116977D+01  0.745708D+01  0.617234D+01
      3  -0.914275D+01  0.236463D+02  0.456510D+01  0.469632D+01  0.267637D+01
      4  -0.104521D+02  0.461226D+02 -0.185340D+01  0.118237D+02 -0.133019D+02
      5   0.191212D+01 -0.130183D+01 -0.497064D+01  0.184729D+02 -0.179268D+02
      6   0.307450D+01  0.109931D+01  0.110764D+02 -0.671798D+01  0.216330D+02
               126           127           128           129           130 
      1  -0.104376D+02  0.168117D+00  0.722737D+00  0.307855D+01 -0.224020D+01
      2  -0.698639D+01 -0.537592D+01 -0.150108D+01  0.562309D+01 -0.513585D+00
      3   0.174240D+02  0.520781D+01  0.778348D+00 -0.870164D+01  0.275379D+01
      4  -0.158504D+02  0.164449D+01  0.278433D+01 -0.693137D+00  0.148726D+01
      5  -0.342828D+02 -0.922574D+01 -0.236071D+01  0.117116D+02 -0.231856D+01
      6   0.249361D+02  0.455427D+00 -0.170241D+01 -0.142998D+01 -0.126578D+01
               131           132           133           134           135 
      1  -0.310360D+01  0.718267D+01  0.302225D+01  0.355542D+01 -0.231033D+02
      2  -0.477804D+00  0.309829D+01  0.727786D+01  0.230132D+01 -0.158262D+02
      3   0.358141D+01 -0.102810D+02 -0.103001D+02 -0.585673D+01  0.389295D+02
      4   0.105614D+01 -0.156387D+01 -0.230789D+01 -0.383220D+01  0.228647D+01
      5  -0.264525D+01  0.351260D+01  0.128511D+02  0.398044D+01 -0.200905D+02
      6  -0.261034D+01  0.193837D+01  0.425195D+00  0.574203D+01 -0.787834D+00
               136           137           138           139           140 
      1   0.346988D+01  0.849264D-01 -0.215632D+01  0.400885D+00 -0.208291D+01
      2  -0.544034D+01  0.918257D+00 -0.409925D+01  0.207619D+01 -0.641790D-01
      3   0.197046D+01 -0.100318D+01  0.625557D+01 -0.247707D+01  0.214709D+01
      4  -0.230392D+01  0.382867D+01 -0.981540D+00  0.232782D+01 -0.297666D+01
      5   0.109467D+02 -0.296950D+01  0.966215D+01 -0.461002D+01  0.334964D+01
      6  -0.509717D+00  0.198915D+01 -0.866520D+00  0.715930D+00 -0.306428D+01
               141           142           143           144           145 
      1   0.507815D+01 -0.327070D+01  0.426006D+01 -0.126971D+02 -0.271335D+01
      2   0.240150D+01 -0.536775D+01  0.980459D+00 -0.841070D+01 -0.271158D+01
      3  -0.747964D+01  0.863845D+01 -0.524052D+01  0.211078D+02  0.542493D+01
      4   0.123048D+01 -0.157628D+01  0.311640D+01 -0.200637D+01  0.536913D+01
      5  -0.592860D+01  0.120267D+02 -0.409655D+01  0.150651D+02 -0.893545D+01
      6   0.229156D+01 -0.169759D+01  0.508051D+01 -0.340259D+01 -0.579467D+01
               146           147           148           149           150 
      1  -0.193721D+01  0.585250D+01 -0.248009D+01 -0.521583D+01  0.898421D+01
      2   0.524584D+00  0.288749D+01 -0.427442D+00  0.155201D+01  0.218435D+00
      3   0.141262D+01 -0.873999D+01  0.290753D+01  0.366383D+01 -0.920264D+01
      4   0.379684D+01 -0.552733D+01  0.224381D+01  0.198165D+01 -0.285077D+01
      5  -0.346704D+01  0.116351D+02 -0.310862D+01 -0.250992D+01  0.362714D+01
      6  -0.369411D+01  0.645793D+01 -0.288549D+01 -0.571300D+01  0.935470D+01
               151           152           153           154           155 
      1   0.726727D+01  0.113414D+02 -0.295760D+02  0.327618D+01  0.300893D+01
      2   0.187953D+01 -0.362577D+01 -0.536888D+01 -0.209714D+01 -0.370976D+01
      3  -0.914680D+01 -0.771562D+01  0.349449D+02 -0.117904D+01  0.700833D+00
      4  -0.626132D+01 -0.532291D+01  0.802191D+01 -0.107471D+02  0.871900D+01
      5   0.108698D+02  0.505905D+01 -0.166595D+02  0.156104D+02 -0.586637D+01
      6   0.858273D+01  0.135922D+02 -0.241872D+02 -0.843459D+01  0.652928D+01
               156           157           158           159           160 
      1  -0.152573D+01 -0.153767D+00 -0.442229D+01  0.506949D+01 -0.358339D+01
      2  -0.121747D+01  0.561459D+00  0.305440D+01 -0.502286D+00 -0.142745D+01
      3   0.274320D+01 -0.407692D+00  0.136789D+01 -0.456720D+01  0.501084D+01
      4  -0.817165D+01  0.604628D+01 -0.673571D+01  0.639282D+01 -0.885896D+01
      5   0.136946D+02 -0.803749D+01  0.560288D+01 -0.893600D+01  0.150103D+02
      6  -0.872350D+01  0.598543D+01 -0.709380D+01  0.925367D+01 -0.103181D+02
               161           162           163           164           165 
      1   0.844611D+01 -0.138369D+02  0.871767D+01 -0.233244D+01 -0.809980D+01
      2  -0.509032D+01 -0.123491D+01 -0.745408D+01  0.654006D+00  0.612127D+01
      3  -0.335579D+01  0.150718D+02 -0.126358D+01  0.167844D+01  0.197853D+01
      4   0.817692D+01 -0.105104D+02 -0.560985D+01  0.986667D+01  0.630851D+01
      5  -0.789187D+01  0.195304D+02 -0.147539D+02  0.469798D+01  0.158281D+02
      6   0.125085D+02 -0.182626D+02  0.422230D+01 -0.176298D+01 -0.293019D+01
               166           167           168           169           170 
      1   0.459275D+01  0.826585D+00 -0.290385D+01 -0.163935D+02 -0.470748D+01
      2  -0.344925D+01  0.829574D+00  0.117336D+01  0.142668D+02  0.906879D+00
      3  -0.114350D+01 -0.165616D+01  0.173049D+01  0.212668D+01  0.380060D+01
      4   0.112828D+02 -0.953112D+01 -0.823902D+01  0.128898D+02 -0.153016D+02
      5   0.422399D+01 -0.834858D+01 -0.900314D+01  0.282567D+02 -0.185246D+02
      6  -0.306031D+01  0.613059D+01  0.937784D+01 -0.957050D+01  0.123994D+02
               171           172           173           174           175 
      1  -0.497179D+01  0.200730D+02 -0.990038D+01  0.591830D+01 -0.119178D+02
      2  -0.119164D+02 -0.408759D+01 -0.445123D+00 -0.163586D+01 -0.349286D+01
      3   0.168882D+02 -0.159854D+02  0.103455D+02 -0.428245D+01  0.154106D+02
      4  -0.217859D+02 -0.221282D+02  0.255750D+02 -0.520082D+01  0.329466D+02
      5  -0.498679D+02  0.795071D+01 -0.324019D+01  0.758630D+01 -0.431060D+01
      6   0.195564D+02 -0.248178D+01  0.121198D+00 -0.178127D+01  0.163985D+01
               176           177           178           179           180 
      1   0.308828D+01 -0.381181D+00  0.184175D+02 -0.355127D+00  0.202705D+01
      2   0.185342D+02 -0.413291D+01 -0.476432D+01 -0.712865D+01  0.106323D+00
      3  -0.216225D+02  0.451409D+01 -0.136532D+02  0.748377D+01 -0.213337D+01
      4  -0.466618D+02  0.108741D+02 -0.151488D+02  0.232155D+02 -0.130339D+02
      5   0.970696D+01 -0.909673D+01  0.963385D+01 -0.114122D+02  0.685304D+01
      6  -0.344821D+01  0.556702D+01 -0.400451D+01  0.582953D+01 -0.370676D+01
               181           182           183           184           185 
      1   0.140197D+03 -0.177324D+02 -0.176695D+02 -0.277467D+02  0.133042D+02
      2  -0.714799D+02  0.929336D+01  0.878361D+01  0.136850D+02 -0.479596D+01
      3  -0.687172D+02  0.843903D+01  0.888587D+01  0.140617D+02 -0.850828D+01
      4  -0.140614D+02  0.148581D+02  0.185076D+01  0.173032D+02 -0.882409D+01
      5  -0.212523D+02  0.260130D+01  0.182903D+02  0.286854D+01 -0.634418D+01
      6   0.991053D+00 -0.138892D+01  0.136543D+01 -0.156750D+01  0.798275D-01
               186           187           188           189           190 
      1   0.318028D+01 -0.213969D+02  0.228064D+01  0.163083D+02  0.347387D+02
      2  -0.216838D+01  0.122962D+02 -0.212710D+01 -0.102693D+02 -0.156577D+02
      3  -0.101190D+01  0.910067D+01 -0.153541D+00 -0.603898D+01 -0.190810D+02
      4  -0.588328D+01  0.732006D+00 -0.580252D+01 -0.481370D+00  0.327614D+02
      5  -0.131706D+01  0.234570D+02 -0.785376D+00 -0.552357D+01  0.274730D+02
      6   0.246813D+01 -0.159216D+00  0.271059D+01  0.856858D+00  0.120609D+02
               191           192           193           194           195 
      1   0.202829D+02  0.137351D+02  0.270785D+02  0.156513D+02  0.671327D+01
      2  -0.541100D+01 -0.982441D+01 -0.827036D+01  0.157060D+01 -0.407884D+01
      3  -0.148719D+02 -0.391072D+01 -0.188081D+02 -0.172219D+02 -0.263443D+01
      4   0.313572D+02  0.133873D+02  0.391689D+02  0.456083D+02  0.230390D+02
      5   0.164172D+02  0.225403D+02  0.250603D+02  0.266902D+02  0.224834D+02
      6   0.114176D+02  0.802101D+01  0.147824D+02  0.193525D+02  0.146036D+02
               196           197           198           199           200 
      1   0.828665D+01  0.218315D+01  0.652799D+01  0.112676D+02 -0.613438D+01
      2  -0.674965D+01 -0.198368D+01 -0.604651D+01 -0.889724D+01  0.546958D+01
      3  -0.153700D+01 -0.199463D+00 -0.481485D+00 -0.237034D+01  0.664806D+00
      4   0.982088D+01  0.123007D+02  0.112392D+02 -0.700585D+01  0.131949D+02
      5   0.182925D+02  0.119119D+02  0.147756D+02  0.165977D+02 -0.787616D+01
      6   0.701715D+01  0.100797D+02  0.737765D+01 -0.137421D+01  0.437586D+01
               201           202           203           204           205 
      1   0.118293D+02 -0.134532D+02  0.673293D+01 -0.436240D+01  0.113255D+02
      2  -0.104410D+02  0.115209D+02 -0.820433D+01  0.144474D+02 -0.114470D+02
      3  -0.138838D+01  0.193228D+01  0.147140D+01 -0.100850D+02  0.121421D+00
      4  -0.586897D+01  0.140838D+02 -0.283605D+02  0.219073D+02 -0.571992D+01
      5   0.177283D+02 -0.170135D+02  0.245816D+02 -0.333876D+02  0.190768D+02
      6  -0.184645D+01  0.523298D+01 -0.126080D+02  0.959346D+01 -0.240671D+01
               206           207           208           209           210 
      1  -0.169337D+01  0.225445D+01 -0.453942D+02  0.994121D+01  0.140385D+02
      2   0.946880D+01 -0.172917D+02  0.223170D+02 -0.584164D+01 -0.168810D+01
      3  -0.777543D+01  0.150372D+02  0.230772D+02 -0.409956D+01 -0.123504D+02
      4   0.169433D+02 -0.167821D+02 -0.393782D+01 -0.365734D+01 -0.143485D+01
      5  -0.184142D+02  0.339427D+02 -0.100742D+02 -0.152744D+01 -0.891673D+01
      6   0.100914D+02 -0.751907D+01  0.565883D+01 -0.559693D+01 -0.686013D+01
               211           212           213           214           215 
      1   0.947321D+01 -0.662118D+01 -0.558815D+01  0.112105D+02 -0.316993D+01
      2  -0.432887D+01  0.412956D+01  0.342568D+01 -0.295036D+01  0.162624D+01
      3  -0.514434D+01  0.249162D+01  0.216247D+01 -0.826012D+01  0.154369D+01
      4   0.285417D+01  0.325698D+01  0.564578D+01  0.678681D+00  0.406733D+01
      5   0.807078D+00  0.509153D+01  0.712010D+00  0.283069D+01 -0.105357D+01
      6  -0.165249D+01  0.396271D+01  0.523457D+01 -0.314516D+01  0.434987D+01
               216           217           218           219           220 
      1  -0.901613D+01 -0.419798D+02  0.146770D+02  0.160191D+01  0.106504D+02
      2   0.210851D+00  0.280581D+02 -0.149933D+02 -0.208607D+01 -0.822521D+01
      3   0.880528D+01  0.139217D+02  0.316259D+00  0.484169D+00 -0.242524D+01
      4  -0.108058D+01 -0.127234D+02 -0.506641D+01  0.350337D+01  0.397931D+01
      5   0.420250D+01  0.118378D+02  0.611509D+00 -0.696079D+01 -0.202192D+01
      6   0.229966D+01  0.623191D+00  0.348700D+01 -0.537350D+01  0.107083D+01
               221           222           223           224           225 
      1  -0.976632D+01  0.440813D-01  0.658234D+01 -0.310705D+01 -0.547208D+01
      2   0.121152D+02  0.558102D+00 -0.379707D+01  0.427375D+01  0.898170D-01
      3  -0.234889D+01 -0.602184D+00 -0.278527D+01 -0.116670D+01  0.538227D+01
      4   0.541881D+01  0.323411D+00  0.174702D+01  0.411623D+01 -0.104125D+01
      5   0.204038D+01  0.160783D+00 -0.126225D+01  0.140544D+00 -0.337231D+01
      6  -0.144066D+01  0.126671D+01 -0.227150D+01  0.140031D+01 -0.649151D+00
               226           227           228           229           230 
      1   0.945074D+00  0.259946D+01 -0.777774D+01 -0.127223D+01  0.204279D+00
      2  -0.214220D+01  0.141307D+00  0.615362D+01  0.268334D+01 -0.866406D+00
      3   0.119712D+01 -0.274076D+01  0.162411D+01 -0.141111D+01  0.662127D+00
      4   0.308874D+01  0.639708D+01 -0.228231D+01  0.412880D+01  0.156207D+00
      5  -0.947107D+01 -0.106765D+01  0.127725D+02  0.158324D+01 -0.466913D+01
      6  -0.223020D+01 -0.115624D+01  0.150942D+01 -0.631828D+00  0.207892D+00
               231           232           233           234           235 
      1   0.819786D-01 -0.977202D+01  0.230667D+01 -0.129722D+02  0.270974D+02
      2  -0.460790D+01  0.899189D+01 -0.421314D+01 -0.242724D+02 -0.864191D+00
      3   0.452592D+01  0.780124D+00  0.190647D+01  0.372446D+02 -0.262333D+02
      4  -0.388154D+01 -0.602500D+01 -0.101030D+02  0.473949D+01  0.398505D+02
      5  -0.102855D+02  0.174747D+02  0.430309D+01 -0.676411D+02 -0.387124D+01
      6   0.323652D+01  0.452518D+01  0.843752D+01 -0.243701D+02 -0.302841D+01
               236           237           238           239           240 
      1   0.193615D+02  0.187354D+01  0.195383D+02  0.102901D+02 -0.181030D+00
      2   0.589543D+01  0.301487D+00  0.692445D+01  0.260726D+02  0.116115D+01
      3  -0.252569D+02 -0.217502D+01 -0.264627D+02 -0.363627D+02 -0.980123D+00
      4   0.440353D+02 -0.123318D+01  0.460705D+02  0.657851D+02 -0.123902D+01
      5  -0.511949D+01  0.100962D+02 -0.563811D+01 -0.458318D+01  0.775479D+01
      6  -0.468196D+01  0.562945D+01 -0.468251D+01 -0.790201D+01  0.667807D+01
               241           242           243           244           245 
      1   0.731131D+01  0.204533D+01  0.315343D+01  0.991642D+00  0.336524D+01
      2   0.970134D-01  0.505746D+01 -0.146685D+01 -0.415833D+01 -0.154997D+01
      3  -0.740833D+01 -0.710279D+01 -0.168659D+01  0.316669D+01 -0.181527D+01
      4   0.885734D+01  0.139583D+02  0.670605D+01  0.607855D+01  0.540237D+01
      5   0.692923D+01  0.533675D+01 -0.125074D+01 -0.111211D+02 -0.130293D+01
      6   0.397409D+01  0.441199D+01  0.505269D+00 -0.347838D+01 -0.400878D+00
               246           247           248           249           250 
      1  -0.629645D+01  0.405958D+01 -0.998762D-02  0.215901D+01 -0.899708D+01
      2   0.493995D+01 -0.180851D+01  0.361433D+00 -0.395111D+00  0.892038D+01
      3   0.135650D+01 -0.225107D+01 -0.351445D+00 -0.176390D+01  0.767007D-01
      4  -0.224169D+01  0.927842D+01  0.430387D+01 -0.696421D+01 -0.475598D+01
      5   0.119488D+02 -0.194400D+01 -0.701534D+01  0.876721D+01  0.168372D+02
      6   0.213609D+01 -0.159322D+01 -0.386046D+01  0.705433D+01  0.306301D+01
               251           252           253           254           255 
      1   0.241322D+01 -0.609816D+01 -0.824357D+02 -0.959959D+01  0.909428D+01
      2   0.540027D+00 -0.131087D+02  0.422809D+02  0.134612D+02 -0.573703D+01
      3  -0.295325D+01  0.192069D+02  0.401548D+02 -0.386160D+01 -0.335726D+01
      4  -0.113332D+02  0.930706D+01 -0.161876D+02  0.243347D+02  0.836283D+01
      5   0.797355D+01 -0.399436D+02  0.116779D+02  0.509321D+01  0.996867D+01
      6   0.654173D+01 -0.116886D+02  0.912682D+01  0.375324D+01  0.377557D+01
               256           257           258           259           260 
      1   0.137889D+02  0.345118D+02  0.419794D-01  0.268920D+02  0.610002D+00
      2  -0.587449D+00 -0.361449D+02 -0.432212D+00 -0.996032D+01  0.366342D+01
      3  -0.132014D+02  0.163305D+01  0.390232D+00 -0.169317D+02 -0.427342D+01
      4   0.328374D+02 -0.186108D+02  0.975367D+01  0.187496D+02  0.167088D+02
      5   0.102714D+02  0.128642D+02  0.123080D+02  0.147593D+02  0.104420D+02
      6   0.660377D+01  0.368518D+01  0.651762D+01  0.757817D+01  0.688403D+01
               261           262           263           264           265 
      1   0.121708D+02  0.369122D+01 -0.633751D+01 -0.155041D+01 -0.378474D+01
      2   0.614647D+01  0.357744D+01 -0.345917D+01 -0.318569D+00 -0.826268D+01
      3  -0.183173D+02 -0.726866D+01  0.979668D+01  0.186898D+01  0.120474D+02
      4   0.135639D+02 -0.131016D+02  0.200159D+02  0.445217D+01  0.251969D+02
      5  -0.275146D+02 -0.494703D+01  0.566521D+01  0.400366D+01  0.684562D+01
      6  -0.843246D+01  0.354898D+01 -0.413392D+01 -0.165977D+01 -0.565681D+01
               266           267           268           269           270 
      1  -0.155227D+02 -0.452638D+01  0.332309D+00  0.536520D+00 -0.200668D+01
      2   0.437881D+02  0.650939D+01  0.253712D+01 -0.804666D+01  0.158801D+01
      3  -0.282654D+02 -0.198301D+01 -0.286943D+01  0.751014D+01  0.418670D+00
      4  -0.650629D+02 -0.135561D+02 -0.393033D+01  0.100431D+02 -0.309711D+01
      5  -0.158346D+02 -0.124245D+02  0.177307D+01 -0.294357D+01 -0.317573D+01
      6   0.193505D+02  0.100082D+02 -0.110637D+01  0.409359D+01  0.226119D+01
               271           272           273           274           275 
      1   0.127792D+03  0.120678D+02 -0.465590D+01 -0.517382D+01  0.605217D+01
      2  -0.600064D+02 -0.155333D+01  0.176645D+01  0.526601D+01  0.159781D+00
      3  -0.677852D+02 -0.105145D+02  0.288945D+01 -0.921868D-01 -0.621195D+01
      4   0.463438D+02  0.204884D+02 -0.113562D+00  0.116476D+02  0.572391D+01
      5   0.345196D+01  0.124437D+01  0.137976D+02 -0.720926D+00 -0.164344D+01
      6  -0.119662D+01  0.129691D+01  0.421171D+01  0.558830D-01 -0.497994D-01
               276           277           278           279           280 
      1   0.234733D+00 -0.180708D+02 -0.164559D+01  0.903706D+01  0.103107D+01
      2  -0.259892D+00  0.790839D+01 -0.621535D+00 -0.659383D+01  0.210309D+01
      3   0.251590D-01  0.101624D+02  0.226712D+01 -0.244323D+01 -0.313416D+01
      4  -0.180616D+01 -0.821195D+01 -0.564759D+01  0.241402D+01  0.294091D+01
      5  -0.138106D+01  0.132377D+02  0.601733D+00 -0.816020D+00 -0.221928D+01
      6   0.153507D+00  0.349680D+01  0.897858D+00 -0.276073D+00 -0.995614D+00
               281           282           283           284           285 
      1   0.129569D+02 -0.118783D+01  0.115574D+02 -0.311277D+02 -0.550228D+00
      2  -0.141712D+02  0.918313D+00 -0.434454D+01  0.526965D+02 -0.446468D+00
      3   0.121432D+01  0.269513D+00 -0.721290D+01 -0.215688D+02  0.996696D+00
      4  -0.808391D+01 -0.193903D+01  0.110021D+02  0.527057D+02  0.167433D+00
      5  -0.264290D+00 -0.266826D+01  0.154307D+01 -0.225230D+01  0.644298D+01
      6  -0.137799D+01 -0.233868D+01 -0.198949D-01  0.476715D+01  0.714805D+01
               286           287           288           289           290 
      1  -0.530527D+01  0.160607D+01 -0.514681D+01  0.663738D+01  0.103891D+01
      2   0.160190D+01 -0.491836D+01  0.396437D+01 -0.602848D+01 -0.169974D+01
      3   0.370337D+01  0.331229D+01  0.118244D+01 -0.608899D+00  0.660825D+00
      4  -0.433675D+01 -0.865797D+01  0.341126D+01  0.125520D-01 -0.277576D+01
      5   0.651389D+00  0.442445D+01  0.655162D+00  0.313447D+01 -0.127510D+01
      6  -0.244290D+00  0.645712D+01 -0.366546D+00 -0.121320D+00 -0.138154D+01
               291           292           293           294           295 
      1   0.508756D+01 -0.593483D+01 -0.569526D+01 -0.520968D+00  0.122340D+02
      2  -0.212108D+01  0.264373D+01  0.354934D+01  0.302150D+01 -0.753984D+01
      3  -0.296648D+01  0.329110D+01  0.214592D+01 -0.250054D+01 -0.469420D+01
      4  -0.891758D-01 -0.319860D+01 -0.210046D+01  0.195390D+01  0.704557D+01
      5   0.775481D+00 -0.266750D+01  0.177368D+01 -0.571270D+01  0.111700D+02
      6  -0.860782D+00 -0.759543D+00  0.641329D-01  0.133703D+01  0.238843D+01
               296           297 
      1  -0.101015D+01 -0.110410D+02
      2   0.352701D+01 -0.136020D+02
      3  -0.251685D+01  0.246430D+02
      4   0.108448D+02  0.946201D+00
      5   0.182109D+01  0.444486D+02
      6   0.496692D+01  0.171033D+02
 Leave Link  716 at Mon Sep 27 22:27:32 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.217887D+03 -0.951777D+00  0.177291D+01
      2  -0.951777D+00  0.143262D+03 -0.746925D+01
      3   0.177291D+01 -0.746925D+01  0.158168D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.104934D+02 -0.882753D+01  0.220769D+02
      2   0.324520D+01 -0.950081D+01  0.503277D+02
      3  -0.119718D+03 -0.324933D+02  0.163752D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.162388D+03  0.511718D+02 -0.259066D+02
      2  -0.930257D+02 -0.272261D+02  0.367158D+02
      3  -0.693628D+02 -0.239457D+02 -0.108092D+02
      4  -0.282264D+02  0.653673D+02 -0.195608D+02
      5  -0.275770D+02 -0.268854D+02  0.111709D+03
      6   0.565240D+00  0.220880D+02 -0.273832D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.105797D+02  0.288576D+00  0.649029D+00  0.571777D+01  0.218478D+01
      2   0.288576D+00  0.124840D+01 -0.105172D+00  0.218478D+01  0.190852D+01
      3   0.649029D+00 -0.105172D+00  0.118597D+01 -0.506953D+00 -0.276854D+01
                 6             7             8             9            10 
      1  -0.506953D+00 -0.939692D+01  0.315985D+00 -0.485160D+00  0.315483D+02
      2  -0.276854D+01  0.315985D+00 -0.120319D+01 -0.100153D+01  0.175279D+01
      3  -0.212794D+01 -0.485160D+00 -0.100153D+01 -0.162781D+01 -0.147982D+01
                11            12            13            14            15 
      1   0.175279D+01 -0.147982D+01 -0.422806D+00  0.408365D+01  0.124649D+01
      2   0.183860D+01 -0.837514D+00  0.408365D+01 -0.119566D+01 -0.125102D+00
      3  -0.837514D+00  0.300807D+01  0.124649D+01 -0.125102D+00 -0.990611D+00
                16            17            18            19            20 
      1  -0.444379D+01  0.128146D+01  0.137214D+01  0.780715D+01 -0.382439D+00
      2   0.128146D+01 -0.614351D-01 -0.949027D+00 -0.382439D+00 -0.115351D+01
      3   0.137214D+01 -0.949027D+00 -0.534562D+00 -0.722581D+00 -0.446737D+00
                21            22            23            24            25 
      1  -0.722581D+00  0.386154D+01 -0.149870D+01 -0.117866D+01 -0.131590D+02
      2  -0.446737D+00 -0.149870D+01  0.240743D+01 -0.211988D+01  0.155895D+00
      3  -0.295287D+01 -0.117866D+01 -0.211988D+01 -0.111770D+01  0.545430D+00
                26            27            28            29            30 
      1   0.155895D+00  0.545430D+00 -0.286887D+02 -0.141741D+00  0.134286D+01
      2  -0.680898D+00 -0.826041D+00 -0.141741D+00 -0.141289D+01  0.307238D+00
      3  -0.826041D+00 -0.145453D+01  0.134286D+01  0.307238D+00 -0.266044D+01
                31            32            33            34            35 
      1   0.281543D+01 -0.485770D+01 -0.147778D+01  0.316020D+01 -0.149542D+01
      2  -0.485770D+01  0.925528D+00  0.441632D+00 -0.149542D+01 -0.675140D-01
      3  -0.147778D+01  0.441632D+00  0.171252D+00 -0.834538D+00 -0.726086D+00
                36            37            38            39            40 
      1  -0.834538D+00  0.125919D+02 -0.741482D+00 -0.109791D+01 -0.430916D+01
      2  -0.726086D+00 -0.741482D+00 -0.228936D+01  0.128163D+01 -0.167642D+01
      3   0.965042D+00 -0.109791D+01  0.128163D+01 -0.164853D+01 -0.369624D-01
                41            42            43            44            45 
      1  -0.167642D+01 -0.369624D-01  0.108877D+02 -0.192904D+01  0.501477D+00
      2  -0.272539D+01  0.235983D+01 -0.192904D+01  0.125405D+01  0.130452D+01
      3   0.235983D+01  0.202662D+01  0.501477D+00  0.130452D+01  0.136610D+01
                46            47            48            49            50 
      1  -0.932395D+01  0.828877D+00  0.894721D+00 -0.197147D+01  0.137490D+01
      2   0.828877D+00  0.150826D+01 -0.523772D+00  0.137490D+01 -0.352927D+01
      3   0.894721D+00 -0.523772D+00  0.303366D+01  0.201805D+01  0.203119D+01
                51            52            53            54            55 
      1   0.201805D+01  0.131791D+02  0.151419D+01 -0.881144D+00 -0.156659D+02
      2   0.203119D+01  0.151419D+01 -0.155755D+00  0.138800D+01 -0.277168D+01
      3   0.103468D+01 -0.881144D+00  0.138800D+01  0.924038D+00 -0.334074D+00
                56            57            58            59            60 
      1  -0.277168D+01 -0.334074D+00 -0.669735D+01 -0.664888D+01 -0.216466D+00
      2  -0.372220D+01  0.824321D-01 -0.664888D+01  0.886333D+00 -0.199320D+01
      3   0.824321D-01 -0.158909D+01 -0.216466D+00 -0.199320D+01  0.182318D+01
                61            62            63            64            65 
      1  -0.142371D+01 -0.405824D+00 -0.311040D+01 -0.389642D+01  0.437089D+01
      2  -0.405824D+00 -0.258271D+01  0.287400D+01  0.437089D+01  0.283452D+01
      3  -0.311040D+01  0.287400D+01  0.494562D+01  0.244370D+01 -0.318211D+00
                66            67            68            69            70 
      1   0.244370D+01  0.132153D+02  0.490116D+01 -0.169397D+00  0.561438D+01
      2  -0.318211D+00  0.490116D+01  0.144773D+01  0.320747D+01  0.644353D+00
      3   0.580100D+00 -0.169397D+00  0.320747D+01 -0.244199D+01  0.449106D-01
                71            72            73            74            75 
      1   0.644353D+00  0.449106D-01  0.276658D+01 -0.344756D+01 -0.253550D+01
      2   0.325530D+01 -0.214485D+01 -0.344756D+01 -0.336053D+01 -0.324699D-01
      3  -0.214485D+01 -0.419177D+01 -0.253550D+01 -0.324699D-01 -0.127038D+01
                76            77            78            79            80 
      1  -0.520784D+01 -0.453934D+01 -0.419317D-01 -0.318369D+01  0.145445D+00
      2  -0.453934D+01 -0.935876D+00 -0.442676D+01  0.145445D+00 -0.336343D+01
      3  -0.419317D-01 -0.442676D+01  0.262929D+01 -0.342348D+00  0.222177D+01
                81            82            83            84            85 
      1  -0.342348D+00  0.317103D+01 -0.390078D+01 -0.153615D+01 -0.570159D+01
      2   0.222177D+01 -0.390078D+01 -0.358370D+01  0.226520D+00 -0.375548D+01
      3   0.207870D+01 -0.153615D+01  0.226520D+00 -0.733221D+00 -0.209593D+00
                86            87            88            89            90 
      1  -0.375548D+01 -0.209593D+00 -0.208547D+01 -0.871280D+00 -0.627629D+00
      2  -0.268998D+01 -0.237921D+01 -0.871280D+00 -0.299932D+01  0.161737D+01
      3  -0.237921D+01  0.263944D+01 -0.627629D+00  0.161737D+01  0.638011D+01
                91            92            93            94            95 
      1   0.584453D+01  0.230379D+01  0.259878D+00 -0.866424D+00  0.544823D+01
      2   0.230379D+01  0.156338D+01  0.949669D+00  0.544823D+01 -0.386677D+01
      3   0.259878D+00  0.949669D+00  0.129901D+01  0.175337D+01 -0.312362D+00
                96            97            98            99           100 
      1   0.175337D+01  0.336934D+01  0.171810D+01  0.174979D+01  0.267087D+01
      2  -0.312362D+00  0.171810D+01  0.146928D+01  0.177282D+01 -0.199683D+01
      3   0.137371D+01  0.174979D+01  0.177282D+01 -0.437833D+01  0.144530D+01
               101           102           103           104           105 
      1  -0.199683D+01  0.144530D+01 -0.132116D+01 -0.844584D+00 -0.128123D+01
      2   0.727400D+00 -0.885503D+00 -0.844584D+00  0.372472D+01 -0.111650D+00
      3  -0.885503D+00  0.391999D+00 -0.128123D+01 -0.111650D+00 -0.209519D+01
               106           107           108           109           110 
      1   0.247104D+01 -0.292720D+01  0.137649D+01 -0.535266D+01  0.219630D+01
      2  -0.292720D+01  0.307872D+01 -0.256283D+01  0.219630D+01 -0.170207D+01
      3   0.137649D+01 -0.256283D+01  0.259774D+01 -0.347781D+01  0.690409D+00
               111           112           113           114           115 
      1  -0.347781D+01  0.300449D+01 -0.238616D+01  0.129513D+01 -0.771833D+01
      2   0.690409D+00 -0.238616D+01  0.266927D+01 -0.209158D+01  0.318934D+01
      3  -0.180412D+01  0.129513D+01 -0.209158D+01  0.225348D+01 -0.312504D+01
               116           117           118           119           120 
      1   0.318934D+01 -0.312504D+01  0.975420D+00  0.181514D+00  0.133885D+01
      2  -0.503650D+01  0.213002D+01  0.181514D+00  0.209740D+01  0.480313D+00
      3   0.213002D+01 -0.730763D+01  0.133885D+01  0.480313D+00  0.276360D+00
               121           122           123           124           125 
      1  -0.105641D+00  0.231391D+01  0.160293D+00  0.336730D+01 -0.105859D+01
      2   0.231391D+01 -0.661870D+01  0.684117D+00 -0.105859D+01  0.248748D+01
      3   0.160293D+00  0.684117D+00  0.282639D+00 -0.115542D+01  0.281745D+01
               126           127           128           129           130 
      1  -0.115542D+01  0.201270D+01  0.651875D+00 -0.185039D+01  0.332065D+00
      2   0.281745D+01  0.651875D+00  0.322714D+00 -0.322850D+00  0.153763D+00
      3   0.494140D+01 -0.185039D+01 -0.322850D+00  0.200392D+01 -0.548682D+00
               131           132           133           134           135 
      1   0.153763D+00 -0.548682D+00 -0.242754D+01 -0.910012D+00  0.265451D+01
      2   0.402949D+00 -0.582541D+00 -0.910012D+00 -0.124941D+01  0.150303D+01
      3  -0.582541D+00  0.198629D+01  0.265451D+01  0.150303D+01 -0.715559D+01
               136           137           138           139           140 
      1  -0.372722D+01  0.108830D+01 -0.178274D+01  0.170579D+01 -0.592782D+00
      2   0.108830D+01 -0.833080D+00  0.605475D+00 -0.592782D+00  0.695116D+00
      3  -0.178274D+01  0.605475D+00 -0.179964D+01  0.112718D+01 -0.655852D+00
               141           142           143           144           145 
      1   0.112718D+01 -0.242624D+01  0.904010D+00 -0.242611D+01 -0.211249D+01
      2  -0.655852D+00  0.904010D+00 -0.130171D+01  0.140411D+01 -0.642475D+00
      3   0.173326D+01 -0.242611D+01  0.140411D+01 -0.442810D+01  0.204383D+01
               146           147           148           149           150 
      1  -0.642475D+00  0.204383D+01 -0.425996D+00 -0.176961D+00  0.678986D+00
      2  -0.392657D+00  0.657688D+00 -0.176961D+00 -0.685390D+00  0.896389D+00
      3   0.657688D+00 -0.226940D+01  0.678986D+00  0.896389D+00 -0.234101D+01
               151           152           153           154           155 
      1   0.219721D+01  0.104832D+01 -0.264403D+01  0.359503D+01 -0.109223D+01
      2   0.104832D+01  0.174426D+01 -0.243157D+01 -0.109223D+01  0.112267D+01
      3  -0.264403D+01 -0.243157D+01  0.739247D+01  0.240646D+01 -0.109752D+01
               156           157           158           159           160 
      1   0.240646D+01 -0.211391D+01  0.850561D+00 -0.145563D+01  0.261644D+01
      2  -0.109752D+01  0.850561D+00 -0.106931D+01  0.103584D+01 -0.125817D+01
      3   0.217689D+01 -0.145563D+01  0.103584D+01 -0.207244D+01  0.273299D+01
               161           162           163           164           165 
      1  -0.125817D+01  0.273299D+01  0.157145D+01 -0.389546D+00 -0.157104D+01
      2   0.185914D+01 -0.212177D+01 -0.389546D+00  0.915333D+00  0.440861D+00
      3  -0.212177D+01  0.468836D+01 -0.157104D+01  0.440861D+00  0.135028D+01
               166           167           168           169           170 
      1   0.121082D+01  0.147641D+01  0.422865D+00 -0.485405D+01  0.706800D+00
      2   0.147641D+01 -0.116947D+01 -0.117974D+01  0.706800D+00 -0.196775D+01
      3   0.422865D+00 -0.117974D+01 -0.130812D+01  0.300966D+01 -0.253390D+01
               171           172           173           174           175 
      1   0.300966D+01  0.340569D+01 -0.183335D+01  0.100028D+01 -0.285950D+01
      2  -0.253390D+01 -0.183335D+01  0.242044D+01 -0.363725D+00  0.321909D+01
      3  -0.675886D+01  0.100028D+01 -0.363725D+00  0.714978D+00 -0.524590D+00
               176           177           178           179           180 
      1   0.321909D+01 -0.524590D+00  0.467277D+01 -0.942051D+00  0.115880D+01
      2  -0.565199D+01  0.134841D+01 -0.942051D+00  0.280062D+01 -0.153204D+01
      3   0.134841D+01 -0.119074D+01  0.115880D+01 -0.153204D+01  0.869332D+00
               181           182           183           184           185 
      1   0.131062D+02 -0.151582D+01 -0.168990D+01 -0.345588D+01  0.111420D+01
      2  -0.151582D+01  0.129607D+01  0.216363D+00  0.111420D+01 -0.102463D+01
      3  -0.168990D+01  0.216363D+00  0.158032D+01  0.164170D+00 -0.692839D+00
               186           187           188           189           190 
      1   0.164170D+00 -0.247884D+01  0.527021D-02  0.193977D+01  0.431946D+01
      2  -0.692839D+00  0.527021D-02 -0.810772D+00  0.826726D-01  0.305616D+01
      3  -0.149424D+00  0.193977D+01  0.826726D-01 -0.344135D+00  0.225966D+01
               191           192           193           194           195 
      1   0.305616D+01  0.225966D+01  0.408674D+01  0.379302D+01  0.197620D+01
      2   0.296366D+01  0.128069D+01  0.379302D+01  0.492399D+01  0.257693D+01
      3   0.128069D+01  0.195841D+01  0.197620D+01  0.257693D+01  0.222365D+01
               196           197           198           199           200 
      1   0.131930D+01  0.896709D+00  0.152498D+01  0.131973D+01 -0.657082D+00
      2   0.896709D+00  0.136761D+01  0.115726D+01 -0.657082D+00  0.134384D+01
      3   0.152498D+01  0.115726D+01  0.137417D+01  0.152531D+01 -0.666237D+00
               201           202           203           204           205 
      1   0.152531D+01 -0.169888D+01  0.133696D+01 -0.139880D+01  0.167771D+01
      2  -0.666237D+00  0.133696D+01 -0.345458D+01  0.261143D+01 -0.659959D+00
      3   0.153404D+01 -0.139880D+01  0.261143D+01 -0.371015D+01  0.152287D+01
               206           207           208           209           210 
      1  -0.659959D+00  0.152287D+01 -0.658648D+01  0.370091D+00  0.689482D+00
      2   0.216319D+01 -0.202458D+01  0.370091D+00 -0.134725D+01 -0.823500D+00
      3  -0.202458D+01  0.381882D+01  0.689482D+00 -0.823500D+00 -0.216030D+01
               211           212           213           214           215 
      1   0.763133D+00 -0.482227D+00 -0.569734D+00  0.102470D+01 -0.311819D+00
      2  -0.482227D+00  0.930083D+00  0.867947D+00 -0.311819D+00  0.694241D+00
      3  -0.569734D+00  0.867947D+00  0.501700D+00 -0.723110D+00  0.145989D+00
               216           217           218           219           220 
      1  -0.723110D+00 -0.663248D+01  0.584695D+00  0.688293D+00  0.959607D+00
      2   0.145989D+00  0.584695D+00 -0.239626D+01  0.373819D+00 -0.100345D+01
      3   0.118200D+01  0.688293D+00  0.373819D+00 -0.118699D+01  0.139133D+00
               221           222           223           224           225 
      1  -0.100345D+01  0.139133D+00  0.100283D+01 -0.699086D-01 -0.423565D+00
      2   0.154720D+01  0.157380D+00 -0.699086D-01  0.786930D+00  0.153863D+00
      3   0.157380D+00  0.245666D+00 -0.423565D+00  0.153863D+00 -0.375935D+00
               226           227           228           229           230 
      1   0.290322D+00  0.408254D+00 -0.101070D+01 -0.447672D-01  0.323347D+00
      2   0.408254D+00  0.554900D+00 -0.763111D-01  0.323347D+00 -0.288621D-01
      3  -0.101070D+01 -0.763111D-01  0.952250D+00  0.987153D-01 -0.576002D+00
               231           232           233           234           235 
      1   0.987153D-01 -0.167776D+01 -0.390202D+00  0.133003D+01  0.377946D+01
      2  -0.576002D+00 -0.390202D+00 -0.148882D+01  0.530440D+00  0.367446D+01
      3  -0.119555D+01  0.133003D+01  0.530440D+00 -0.890837D+01 -0.302900D-01
               236           237           238           239           240 
      1   0.367446D+01 -0.302900D-01  0.362773D+01  0.432342D+01 -0.160236D+00
      2   0.419741D+01 -0.214036D+00  0.432342D+01  0.728374D+01 -0.851151D-01
      3  -0.214036D+00  0.102620D+01 -0.160236D+00 -0.851151D-01  0.833605D+00
               241           242           243           244           245 
      1   0.109598D+01  0.811532D+00  0.776083D+00  0.396824D+00 -0.904453D+00
      2   0.811532D+00  0.163050D+01  0.643007D+00 -0.904453D+00 -0.475119D+00
      3   0.776083D+00  0.643007D+00 -0.166197D+00  0.127168D+01  0.747562D-01
               246           247           248           249           250 
      1   0.127168D+01 -0.134997D+01 -0.986268D+00  0.181719D+00  0.280265D+01
      2   0.747562D-01 -0.986268D+00 -0.598772D+00  0.109589D+01  0.238743D+00
      3  -0.112268D+01  0.181719D+00  0.109589D+01 -0.126645D+01 -0.189353D+01
               251           252           253           254           255 
      1   0.238743D+00 -0.189353D+01  0.795146D+01 -0.456773D+00 -0.180518D+01
      2   0.164129D+01 -0.113185D+01 -0.456773D+00 -0.332891D+01 -0.729642D+00
      3  -0.113185D+01  0.601642D+01 -0.180518D+01 -0.729642D+00 -0.978694D+00
               256           257           258           259           260 
      1  -0.483301D+01 -0.346678D+01 -0.111151D+01 -0.632149D+01 -0.129289D+01
      2  -0.346678D+01  0.420508D+01 -0.114733D+01 -0.129289D+01 -0.223542D+01
      3  -0.111151D+01 -0.114733D+01 -0.171560D+01 -0.138440D+01 -0.125249D+01
               261           262           263           264           265 
      1  -0.138440D+01 -0.101685D+01  0.149041D+01  0.559824D+00  0.173004D+01
      2  -0.125249D+01  0.149041D+01 -0.204090D+01 -0.530121D+00 -0.292862D+01
      3   0.385798D+01  0.559824D+00 -0.530121D+00 -0.463479D+00 -0.627790D+00
               266           267           268           269           270 
      1  -0.292862D+01 -0.627790D+00 -0.212665D+00  0.526121D+00 -0.203325D+00
      2   0.101791D+02  0.213757D+01  0.526121D+00 -0.144574D+01  0.539823D+00
      3   0.213757D+01  0.194111D+01 -0.203325D+00  0.539823D+00  0.564326D+00
               271           272           273           274           275 
      1  -0.152122D+02 -0.198558D+01  0.262944D+00  0.748952D+00 -0.994743D+00
      2  -0.198558D+01 -0.153922D+01 -0.143389D+00 -0.994743D+00 -0.506057D+00
      3   0.262944D+00 -0.143389D+00 -0.113802D+01  0.945902D-01  0.194420D+00
               276           277           278           279           280 
      1   0.945902D-01  0.249500D+01  0.487168D+00 -0.115193D+01  0.617543D-01
      2   0.194420D+00  0.487168D+00  0.656811D+00 -0.388923D-01 -0.657417D+00
      3   0.247623D+00 -0.115193D+01 -0.388923D-01  0.492956D-01  0.307776D+00
               281           282           283           284           285 
      1  -0.657417D+00  0.307776D+00 -0.164150D+01 -0.373924D+00 -0.448522D-01
      2   0.215704D+01  0.238577D+00 -0.373924D+00 -0.853857D+01 -0.609901D-01
      3   0.238577D+00  0.413114D+00 -0.448522D-01 -0.609901D-01 -0.992157D+00
               286           287           288           289           290 
      1   0.105185D+01  0.333855D+00  0.583834D-02 -0.390856D+00  0.270273D+00
      2   0.333855D+00  0.127387D+01 -0.714231D+00  0.270273D+00  0.465638D+00
      3   0.583834D-02 -0.714231D+00 -0.120856D+00 -0.465792D+00  0.210260D+00
               291           292           293           294           295 
      1  -0.465792D+00  0.124745D+01  0.315602D+00  0.203921D+00 -0.219601D+01
      2   0.210260D+00  0.315602D+00  0.152452D+00 -0.337770D+00 -0.400921D+00
      3   0.292292D+00  0.203921D+00 -0.337770D+00  0.767861D+00 -0.834084D+00
               296           297 
      1  -0.400921D+00 -0.834084D+00
      2  -0.151291D+01 -0.294457D+00
      3  -0.294457D+00 -0.625924D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.247334D+01 -0.222136D+01  0.158994D+01 -0.782870D+01 -0.212681D+01
      2   0.343431D+01 -0.230745D+01  0.870539D+01 -0.229603D+01  0.217215D+01
      3   0.186145D+02 -0.151672D+01  0.271650D+01  0.743320D+01 -0.186523D+01
                 6             7             8             9            10 
      1  -0.249478D+01 -0.768358D+00  0.197630D+01  0.149214D+00 -0.431063D+01
      2  -0.347198D+01 -0.432386D+01 -0.105882D+01  0.232775D+01 -0.185324D+00
      3   0.269880D+01  0.149424D+02  0.442160D+00  0.240125D+01 -0.385216D+02
                11            12            13            14            15 
      1  -0.492473D+00  0.114310D+01  0.274720D+01  0.426604D+01 -0.884887D+01
      2   0.612732D+00 -0.258892D+01  0.508505D+01  0.159746D+00  0.181692D+00
      3  -0.132669D+01  0.151554D+01  0.108608D+02 -0.188874D+01 -0.984169D+00
                16            17            18            19            20 
      1  -0.416204D+01 -0.214672D+01 -0.465929D+01 -0.650751D+00  0.130386D+01
      2  -0.232458D+02 -0.160891D+01 -0.337986D+01 -0.431290D+01 -0.210067D+01
      3   0.108096D+01 -0.149182D+01 -0.453152D+00 -0.107752D+02 -0.184067D+01
                21            22            23            24            25 
      1  -0.139284D+01  0.574658D+01 -0.203340D+01 -0.326252D+01  0.524880D+01
      2   0.349327D+01 -0.411581D+01 -0.211590D+01  0.117198D+01 -0.152804D+01
      3   0.271932D+01  0.802366D+01  0.118198D+01 -0.222265D+01  0.190159D+02
                26            27            28            29            30 
      1   0.131937D+01 -0.192919D+01  0.241983D+01  0.826642D+00 -0.340682D+01
      2   0.563995D+00 -0.212678D+01  0.278149D-01  0.212505D+01 -0.418628D+01
      3  -0.919245D+00 -0.451268D+01  0.316609D+02  0.112294D+01 -0.296231D+01
                31            32            33            34            35 
      1  -0.161699D+01  0.479275D+01 -0.855919D+01 -0.607582D+01 -0.815128D+00
      2   0.481659D+01 -0.628061D+00  0.228175D+01 -0.256081D+02  0.388171D+01
      3   0.845183D+01  0.573938D+01  0.926916D+00 -0.682523D+01 -0.205606D+01
                36            37            38            39            40 
      1  -0.308476D+01 -0.364833D+01 -0.553141D+00 -0.114256D+01 -0.506545D+01
      2   0.727998D-01 -0.106256D+01 -0.232313D+01  0.774689D+01 -0.353282D+01
      3   0.265751D+01 -0.150101D+02 -0.171592D+00  0.281101D+01  0.149418D+02
                41            42            43            44            45 
      1   0.144095D+01  0.888213D+00 -0.218823D+01  0.346199D+01  0.251899D+01
      2   0.180623D+01 -0.219304D+01 -0.643086D+01 -0.861095D+00  0.200287D+01
      3  -0.299283D+00  0.205464D+01 -0.112565D+02  0.412297D+01  0.126385D+01
                46            47            48            49            50 
      1   0.300818D+01  0.142448D+01  0.288878D+01  0.980549D+01  0.149313D+01
      2  -0.134209D+01 -0.197882D+01  0.325391D+01 -0.420310D+01 -0.187822D+01
      3   0.150715D+02 -0.217917D+01 -0.103503D+01  0.131270D+02  0.169383D+01
                51            52            53            54            55 
      1  -0.242765D+01  0.231398D+01  0.346779D+01 -0.393958D-01  0.218259D+01
      2   0.891816D+00 -0.385169D+01  0.614188D+00 -0.246083D+00 -0.718785D+01
      3  -0.519377D+01 -0.135875D+02 -0.192242D+01 -0.132059D+01  0.257584D+02
                56            57            58            59            60 
      1   0.171005D+01 -0.167434D+00  0.398185D+01 -0.342646D+01  0.305854D+01
      2  -0.380910D+00 -0.315445D+01 -0.379709D+01 -0.118782D+02  0.813844D+01
      3   0.124277D+02 -0.337296D+00  0.389712D+02  0.717216D+01  0.784136D+01
                61            62            63            64            65 
      1  -0.293497D+00  0.799961D+01  0.462959D+01 -0.204758D+01 -0.558676D-01
      2  -0.197642D+02  0.941067D+01  0.164506D+02  0.121254D+02 -0.401450D+00
      3   0.306475D+01  0.103223D+02 -0.526130D+01 -0.285700D+02 -0.153025D+02
                66            67            68            69            70 
      1  -0.739332D+00 -0.337441D+01 -0.224929D+01 -0.263588D+01  0.263448D+01
      2   0.584085D+01  0.448145D+01  0.151977D+02 -0.112452D+02 -0.135382D+01
      3   0.198962D+01 -0.267424D+02 -0.755851D+01 -0.129127D+02 -0.576645D+01
                71            72            73            74            75 
      1   0.479467D+01  0.182819D+01 -0.213354D+01 -0.641617D+01  0.641183D+00
      2  -0.920022D+01 -0.172550D+02 -0.185557D+02  0.564965D+01  0.370375D+01
      3  -0.139565D+02  0.692705D+01  0.181432D+02  0.946668D+01 -0.276436D+01
                76            77            78            79            80 
      1  -0.926992D+01  0.195352D+01 -0.140205D+02  0.476703D+00 -0.728535D+01
      2   0.687370D+01 -0.108110D+02  0.112164D+02  0.383200D+01  0.924991D+01
      3   0.180559D+02  0.976987D+00  0.170846D+02 -0.267431D+01  0.132287D+02
                81            82            83            84            85 
      1   0.325065D+01  0.646889D+01  0.413283D+01  0.136053D+01  0.586208D+01
      2   0.105337D+02 -0.200720D+00 -0.406300D+01 -0.221923D+01 -0.726441D+01
      3  -0.895989D+01  0.254222D+02  0.326855D+01 -0.236392D+01  0.712890D+01
                86            87            88            89            90 
      1   0.907981D+01 -0.429537D+01  0.306696D+01  0.305427D+01 -0.165148D+02
      2  -0.135027D+02  0.103680D+02 -0.570183D+01  0.618607D+01  0.217415D+02
      3   0.204435D+01  0.959309D+01  0.666946D+00  0.106393D+02 -0.630993D+01
                91            92            93            94            95 
      1   0.200297D+00  0.371066D+00  0.222210D+01  0.183399D+01 -0.238984D+01
      2  -0.420506D+01 -0.333961D+01  0.112779D+00 -0.338444D+01 -0.205512D+01
      3  -0.418276D+01 -0.729688D+00  0.308654D+01  0.322045D+02 -0.172226D+02
                96            97            98            99           100 
      1  -0.362648D+01  0.241353D+01  0.505107D+01 -0.114678D+01 -0.530035D+00
      2  -0.665992D+01 -0.151320D+02 -0.565968D+01  0.155584D+02  0.302995D+01
      3  -0.199190D+01  0.215504D+01  0.338014D+01  0.457520D+01  0.113476D+02
               101           102           103           104           105 
      1  -0.634720D+01 -0.575566D+01  0.269055D-01  0.401265D+00  0.343970D+01
      2   0.338528D+01  0.512111D+01  0.143064D+01  0.274429D+01  0.145497D+02
      3  -0.124746D+02 -0.551876D+01 -0.838013D+01  0.378343D+01  0.176217D+01
               106           107           108           109           110 
      1  -0.679647D+01 -0.129919D+01 -0.441008D+01  0.450770D+01  0.308811D+01
      2  -0.335702D+01  0.976720D+01 -0.163553D+02  0.907989D+01 -0.255993D+01
      3  -0.117195D+02  0.176315D+02 -0.617933D+01 -0.502343D+00 -0.537841D+01
               111           112           113           114           115 
      1   0.424378D+01 -0.613937D+00 -0.264432D+00 -0.773514D+01  0.395287D+01
      2   0.861247D+01 -0.447005D+00  0.665944D+01 -0.112436D+02  0.332263D+01
      3   0.495252D+00 -0.380719D+01  0.119610D+02 -0.699535D+01  0.118249D+02
               116           117           118           119           120 
      1   0.598698D+01  0.118999D+02 -0.371716D+01  0.270786D+01  0.112154D-01
      2  -0.614533D+01  0.291557D+02 -0.593679D+01 -0.121879D+01  0.222851D+00
      3  -0.209101D+02  0.570257D+01 -0.350790D+00  0.676814D+01  0.460254D+01
               121           122           123           124           125 
      1   0.866813D+00 -0.492050D+01 -0.239314D+01 -0.178924D+01  0.764607D+01
      2  -0.249372D+01 -0.410448D+01 -0.187474D+01 -0.174335D+01 -0.828695D+01
      3   0.831756D+01 -0.171129D+02  0.246680D+01 -0.967721D+00  0.721989D+01
               126           127           128           129           130 
      1  -0.694311D+01 -0.245460D+01 -0.227103D+01  0.117473D+01 -0.510542D+00
      2  -0.155672D+02  0.489297D+01  0.128905D+01 -0.907078D+00  0.539484D+00
      3   0.879695D+01 -0.534892D+00 -0.895940D+00  0.884075D+00  0.964830D+00
               131           132           133           134           135 
      1  -0.141899D+01 -0.179867D+00  0.341972D+01  0.572718D+01 -0.533214D+01
      2   0.126936D+00  0.415191D+00 -0.556304D+01 -0.706826D+00 -0.208079D+01
      3  -0.250460D+00  0.268051D+00  0.115822D+01  0.232108D+01 -0.164098D+01
               136           137           138           139           140 
      1  -0.267201D+01  0.336500D+01 -0.756988D+00  0.116853D+01 -0.150767D+01
      2  -0.877389D+01  0.194260D+01 -0.860278D+00  0.240788D+01 -0.747002D+00
      3   0.618641D+00 -0.164031D+01  0.897420D+00  0.628265D+00  0.125726D+01
               141           142           143           144           145 
      1  -0.568540D+00 -0.193649D+01  0.425389D+01 -0.271989D+01  0.194455D+01
      2   0.160903D+00 -0.459968D+01  0.642297D+00  0.590676D+00  0.436076D+01
      3  -0.474096D+00  0.748020D+00 -0.275319D+01  0.169016D+01  0.308981D+01
               146           147           148           149           150 
      1  -0.993610D+00 -0.255046D+01  0.101296D+01  0.102805D+00 -0.380295D+01
      2   0.310729D+00 -0.773679D+00  0.382926D+00 -0.860751D-01  0.597280D+00
      3   0.265308D-01 -0.213603D+01  0.188295D+01 -0.332250D+00 -0.648166D+00
               151           152           153           154           155 
      1  -0.180288D+01  0.240617D+01  0.603957D+01  0.302340D+01  0.150967D+01
      2  -0.494914D+01 -0.475553D+00 -0.838670D+00 -0.495421D+01 -0.120677D+00
      3  -0.273987D+01  0.680630D+00  0.234874D+01 -0.587493D+01 -0.124351D+01
               156           157           158           159           160 
      1   0.287356D+01 -0.185695D+01  0.238151D+00 -0.382893D+01  0.288744D+01
      2  -0.440716D-02  0.158753D+01  0.133779D+00 -0.128478D+01 -0.284807D+01
      3  -0.242634D+01  0.444496D+01  0.730187D+00  0.909554D+00 -0.335518D+01
               161           162           163           164           165 
      1   0.136815D+01  0.479738D+01 -0.121460D+01 -0.595455D+00  0.137720D+01
      2  -0.425472D+00  0.198528D+01 -0.580639D+01  0.745322D+00  0.543886D+01
      3  -0.157736D+01 -0.181747D+01 -0.129576D+01 -0.405936D+01  0.676038D+00
               166           167           168           169           170 
      1  -0.350016D+00 -0.875680D-01 -0.222727D+01  0.271095D+01  0.128847D+01
      2   0.173761D+01 -0.284211D+01 -0.459506D+01  0.463050D+01 -0.878040D+01
      3  -0.488303D+01  0.219046D+01  0.277274D+01  0.388010D+01  0.603588D+01
               171           172           173           174           175 
      1  -0.726432D+01  0.174388D+01 -0.142836D+01  0.185091D+01 -0.241943D+01
      2  -0.223710D+02  0.656722D+01 -0.244131D+01  0.488503D+01 -0.298953D+01
      3   0.410177D+01  0.231834D+01 -0.745369D+01  0.127918D+00 -0.485859D+01
               176           177           178           179           180 
      1   0.419804D+01 -0.495721D+01  0.159193D+01 -0.207576D+01  0.283654D+01
      2   0.712749D+01 -0.568676D+01  0.392217D+01 -0.627701D+01  0.376322D+01
      3   0.154830D+02 -0.366101D+01 -0.334024D+01 -0.902884D+01  0.354974D+01
               181           182           183           184           185 
      1   0.254598D+00 -0.606273D+00 -0.244221D+00  0.122216D+00  0.498515D+00
      2  -0.361985D+01  0.602127D+00  0.992457D+01 -0.515581D+00 -0.318357D+01
      3   0.558583D+01 -0.919777D+01 -0.901580D+00 -0.134972D+01  0.465985D+01
               186           187           188           189           190 
      1  -0.103057D+01 -0.383569D+00  0.118632D+01 -0.165407D+00  0.335288D+01
      2  -0.239151D+00  0.575291D+01  0.498221D+00 -0.730795D+00  0.254648D+01
      3   0.336399D+01  0.691693D+00  0.433594D+01 -0.771871D+00 -0.910260D+01
               191           192           193           194           195 
      1   0.531208D+01 -0.571712D+00  0.550667D+01  0.724835D+01  0.169099D-01
      2   0.457222D+00  0.661672D+01 -0.481527D-01  0.488643D+01  0.754826D+01
      3  -0.119607D+02 -0.369428D+01 -0.102516D+02 -0.187175D+02 -0.924325D+01
               196           197           198           199           200 
      1   0.118990D+01  0.310753D+01  0.636501D+00 -0.228214D+01  0.333106D+01
      2   0.215523D+01  0.272043D+01  0.355159D+01  0.536182D+01 -0.153876D+01
      3  -0.175008D+01 -0.539421D+01 -0.376967D+01  0.243477D+01 -0.618968D+01
               201           202           203           204           205 
      1  -0.188268D+01  0.275201D+01 -0.998214D+01  0.509162D+01 -0.209906D+01
      2   0.495842D+01 -0.116163D+01  0.901370D+01 -0.140807D+02  0.870457D+00
      3   0.316784D+01 -0.318527D+01  0.150638D+02 -0.101913D+02  0.241848D+01
               206           207           208           209           210 
      1   0.795996D+01 -0.552778D+01 -0.178251D+01 -0.288881D+01  0.141395D+01
      2  -0.748347D+01  0.131949D+02  0.204819D+02 -0.348419D+01 -0.868595D+01
      3  -0.911106D+01  0.827096D+01 -0.956512D+01  0.377973D+01  0.409818D+01
               211           212           213           214           215 
      1  -0.114426D+01  0.305867D+00 -0.137937D+00  0.990862D+00  0.222673D+01
      2  -0.288082D+01  0.480321D+01  0.239993D+01 -0.830354D+01  0.105038D+01
      3   0.407383D+01 -0.295346D+01 -0.345267D+01  0.213322D+01 -0.224795D+01
               216           217           218           219           220 
      1  -0.318793D+00 -0.883480D+00  0.217801D+01  0.294239D+01  0.109791D+01
      2   0.542033D+01 -0.763059D+01  0.198567D+01 -0.151174D+01  0.189009D+01
      3  -0.148070D+01 -0.215967D+02  0.783747D+01  0.682104D-01  0.709849D+01
               221           222           223           224           225 
      1  -0.161963D+01 -0.121050D+01  0.163241D+01  0.571519D+00  0.734492D-01
      2  -0.937962D+00 -0.101910D+00 -0.285100D+01 -0.105545D+00 -0.180994D+01
      3  -0.656099D+01 -0.617104D+00  0.185828D+01 -0.287390D+01 -0.152958D+01
               226           227           228           229           230 
      1   0.127999D+01 -0.576221D+00 -0.140451D+01 -0.190110D+00  0.171016D+01
      2  -0.446502D+01 -0.234849D+00  0.306165D+01 -0.536452D+00 -0.176718D+01
      3  -0.257046D+01 -0.231130D+01 -0.807497D+00 -0.181329D+00  0.110300D+01
               231           232           233           234           235 
      1   0.177350D+01 -0.127226D+01  0.496968D+01  0.160890D+02 -0.432406D+01
      2  -0.469898D+01 -0.107761D+01  0.106612D+01 -0.312597D+02  0.367527D+01
      3   0.167866D+01 -0.124869D+01  0.524193D+01 -0.202247D+01 -0.722188D+01
               236           237           238           239           240 
      1  -0.469711D+01 -0.340454D+01 -0.557652D+01 -0.850366D+01 -0.423115D+01
      2   0.264180D+01  0.576523D+01  0.364937D+01  0.399617D+01  0.411610D+01
      3  -0.117296D+02  0.122803D+01 -0.617098D+01 -0.213349D+02  0.218165D+00
               241           242           243           244           245 
      1  -0.224669D+01 -0.163440D+01 -0.862062D+00  0.133899D+00 -0.331901D+00
      2   0.332641D+01  0.276099D+01  0.204733D+00 -0.559003D+01  0.162232D+00
      3  -0.815503D+00 -0.554288D+01 -0.127650D+01 -0.290804D+01 -0.173105D+01
               246           247           248           249           250 
      1  -0.838060D+00  0.248774D-01 -0.871525D-01 -0.109813D+01 -0.133355D+01
      2   0.383426D+01  0.521339D+00 -0.261464D+01  0.423942D+01  0.567348D+00
      3  -0.453854D+00 -0.383421D+00 -0.103090D+01  0.277529D+01 -0.143797D+01
               251           252           253           254           255 
      1   0.293290D+01  0.313708D+01 -0.198072D+01  0.109909D+01 -0.207279D+01
      2   0.377400D+01 -0.182745D+02  0.153814D+02  0.343139D+01  0.614133D+01
      3   0.417975D+01 -0.217337D+01 -0.161415D+02 -0.147954D+02  0.206263D+00
               256           257           258           259           260 
      1  -0.119591D+01 -0.589951D+01 -0.349790D+01 -0.638491D+00  0.114532D+01
      2   0.418041D+01  0.413009D+01  0.584438D+01  0.429496D+01  0.464479D+01
      3  -0.578009D+01  0.219425D+02 -0.318931D+01  0.207349D+01 -0.589099D+01
               261           262           263           264           265 
      1   0.901148D+01  0.592842D+00 -0.108599D+01  0.887722D+00 -0.254842D+01
      2  -0.189448D+02 -0.958324D+00  0.647410D+00  0.114542D+01  0.916368D-01
      3  -0.436112D+01  0.302147D+01 -0.452991D+01 -0.184566D+01 -0.385108D+01
               266           267           268           269           270 
      1   0.890683D+01 -0.263837D+01  0.246295D+00 -0.527285D+00  0.109235D+01
      2  -0.450807D+01 -0.603620D+01  0.180481D+00 -0.152697D+01 -0.117105D+01
      3   0.303376D+02  0.654298D+01  0.128456D+01 -0.518633D+01  0.151301D+01
               271           272           273           274           275 
      1   0.121968D+01  0.632286D+00 -0.235779D+01  0.744564D+00  0.601844D+00
      2  -0.828798D+01 -0.218159D+00  0.843516D+01 -0.677642D+00 -0.126382D+01
      3   0.153095D+02 -0.654359D+01 -0.116263D+01 -0.354226D+01 -0.515877D+00
               276           277           278           279           280 
      1  -0.147628D+00 -0.185563D+01  0.680681D+00 -0.418657D-01  0.136352D+01
      2  -0.689921D+00  0.416064D+01 -0.181803D+00 -0.272738D+00 -0.107005D+01
      3   0.833237D+00 -0.179595D+01  0.202806D+01  0.171170D+01 -0.458131D+01
               281           282           283           284           285 
      1  -0.774105D+00  0.165627D+01 -0.339366D+00  0.518676D+01 -0.435607D+01
      2  -0.955937D+00 -0.131796D+01 -0.868746D+00  0.255955D+00  0.338052D+01
      3   0.798456D+01 -0.137689D+00  0.490635D+01 -0.305555D+02  0.330916D+00
               286           287           288           289           290 
      1   0.610776D+00 -0.853314D+00  0.345695D+00 -0.153792D+01 -0.657021D+00
      2  -0.157371D+01  0.229776D+01  0.528198D+00  0.406580D+01 -0.550847D-01
      3  -0.127420D+01  0.399131D+01 -0.250986D+01  0.138472D+01  0.890894D+00
               291           292           293           294           295 
      1   0.411043D+00 -0.285333D+00 -0.217323D+01  0.861781D+00 -0.220803D+00
      2  -0.172765D+01  0.153728D+01  0.171081D+01 -0.339967D+01 -0.215087D+01
      3   0.991223D+00  0.792559D+00  0.402769D+00 -0.145795D+01  0.155804D+01
               296           297 
      1   0.368317D+01 -0.111102D+02
      2   0.130874D+00  0.247154D+02
      3  -0.493873D+01  0.840027D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.568256D+00 -0.656850D+01  0.172839D+02  0.147102D+02 -0.151129D+01
      2   0.759499D+01  0.293009D+01 -0.709429D+01 -0.424673D+01  0.238836D+01
      3  -0.702674D+01  0.363841D+01 -0.101896D+02 -0.104634D+02 -0.877072D+00
      4   0.952956D+00  0.263091D+01 -0.119895D+01  0.923928D+01  0.576696D+01
      5   0.188983D+02 -0.165735D+00 -0.774211D+01 -0.921114D+01 -0.354488D+01
      6  -0.623263D+00 -0.320333D+01  0.101888D+01 -0.139098D+01  0.385045D+01
                 6             7             8             9            10 
      1  -0.177342D+02 -0.226285D+02 -0.848335D+01  0.375646D+01  0.552043D+02
      2   0.231244D+01  0.409472D+01  0.179864D+01  0.454428D+01 -0.272617D+02
      3   0.154217D+02  0.185338D+02  0.668472D+01 -0.830074D+01 -0.279425D+02
      4  -0.424649D+01  0.499408D+01 -0.216439D+01 -0.427391D+01 -0.114124D+02
      5  -0.246185D+01  0.855219D+01 -0.374407D+01  0.648995D+01 -0.110007D+02
      6   0.126698D+02 -0.598202D+01  0.563220D+01  0.136082D+02  0.327848D+01
                11            12            13            14            15 
      1   0.828803D+01 -0.236319D+01  0.131435D+02 -0.208882D+01  0.459939D+01
      2  -0.803613D+01  0.430780D+01 -0.136050D+02  0.692219D+01 -0.932258D+00
      3  -0.251907D+00 -0.194461D+01  0.461449D+00 -0.483337D+01 -0.366713D+01
      4   0.711257D+00 -0.400177D+01  0.167506D+02 -0.801088D+01 -0.754871D+00
      5  -0.482657D+01  0.892309D+01  0.116648D+02 -0.173227D+00 -0.349421D+01
      6   0.108370D+01 -0.719158D+01 -0.455323D+01  0.396540D+01  0.931609D+01
                16            17            18            19            20 
      1  -0.859739D+01  0.383746D+01 -0.170554D+02 -0.937450D+00  0.331244D+01
      2  -0.543535D+00  0.532481D+01  0.177498D+01 -0.310870D+01 -0.162736D+01
      3   0.914092D+01 -0.916227D+01  0.152805D+02  0.404615D+01 -0.168508D+01
      4   0.121518D+02  0.582273D+00 -0.440843D+01  0.198836D+01 -0.397184D-01
      5  -0.115983D+02 -0.390856D+01 -0.413986D+01 -0.158958D+02  0.312657D+01
      6  -0.642291D+01  0.200293D+01 -0.329745D+01  0.394517D+01  0.485624D+01
                21            22            23            24            25 
      1  -0.217344D+02 -0.948954D+01 -0.563173D+01 -0.496517D+01  0.221081D+02
      2   0.588444D+01 -0.183178D+01  0.600797D+01 -0.248115D+00  0.929282D-01
      3   0.158499D+02  0.113213D+02 -0.376243D+00  0.521329D+01 -0.222011D+02
      4   0.351258D+01  0.333000D+01 -0.932093D+00  0.321899D+01  0.463648D+01
      5  -0.886550D+00  0.195348D+01  0.111504D+01  0.692472D+01  0.119369D+02
      6   0.575878D+01  0.288681D+01  0.246824D+01  0.781039D+01  0.988223D+01
                26            27            28            29            30 
      1  -0.802765D+01  0.535308D+01  0.196926D+02 -0.198109D+01  0.135350D+01
      2   0.147846D+01 -0.210677D+01 -0.334153D+01  0.634301D+01  0.905621D+00
      3   0.654919D+01 -0.324631D+01 -0.163511D+02 -0.436192D+01 -0.225912D+01
      4   0.325953D+01  0.605141D+01  0.255987D+02  0.229764D+00 -0.239166D+01
      5   0.482839D+01 -0.567715D+01  0.369872D+01 -0.184713D+01  0.560100D+01
      6   0.184091D+01  0.994837D+01  0.349335D+01 -0.109908D+01  0.511136D+01
                31            32            33            34            35 
      1  -0.907073D+00 -0.118941D+01  0.611808D+01 -0.667414D+01  0.874054D+01
      2   0.637225D+01  0.483169D+01 -0.173369D+01  0.132272D+01  0.284864D+01
      3  -0.546518D+01 -0.364228D+01 -0.438439D+01  0.535142D+01 -0.115892D+02
      4   0.147448D+02  0.171905D+00  0.150227D+01  0.993329D+01  0.515934D+01
      5   0.102925D+02  0.638263D+00  0.979083D+00 -0.145461D+02  0.266019D+01
      6  -0.879732D+00  0.371603D+01  0.581320D+01 -0.101869D+01  0.153577D+01
                36            37            38            39            40 
      1  -0.154179D+02  0.596902D+01 -0.120327D+02  0.181319D+02  0.434099D+01
      2   0.192947D+01  0.609398D+00  0.123692D+02 -0.115867D+02  0.431352D+01
      3   0.134884D+02 -0.657842D+01 -0.336493D+00 -0.654519D+01 -0.865451D+01
      4   0.172347D+01 -0.901797D+01 -0.818137D+00  0.343029D+01  0.155821D+02
      5  -0.162558D+01  0.954065D+01  0.229789D+01 -0.103820D+02 -0.183479D+01
      6  -0.754805D+01 -0.999920D+00 -0.543354D+01  0.521400D+01 -0.104465D+00
                41            42            43            44            45 
      1  -0.103965D+02 -0.618675D+01 -0.182933D+02 -0.408371D+01  0.757783D+01
      2   0.170061D+02 -0.105837D+02  0.120696D+01 -0.306191D+01 -0.635434D+00
      3  -0.660958D+01  0.167704D+02  0.170863D+02  0.714562D+01 -0.694240D+01
      4   0.598658D+01 -0.221937D+01 -0.221356D+01 -0.202567D+01 -0.676609D+01
      5  -0.106312D+01 -0.147923D+01  0.531106D+01 -0.570604D+01  0.924278D+01
      6  -0.653365D+01  0.481172D+01 -0.999496D+01  0.449218D+00  0.901470D+01
                46            47            48            49            50 
      1  -0.479343D+01  0.953059D+01 -0.204032D+02 -0.182335D+01 -0.139128D+02
      2   0.149056D+01 -0.802701D+01  0.614646D+01 -0.676996D+01  0.229243D+02
      3   0.330287D+01 -0.150358D+01  0.142567D+02  0.859331D+01 -0.901145D+01
      4   0.108801D+02 -0.183119D+00  0.554739D+01  0.872618D+01 -0.587217D+01
      5  -0.939733D+01  0.589630D+01 -0.139359D+01  0.104422D+02  0.214655D+01
      6   0.445823D+01  0.387130D+01 -0.397684D+01 -0.191843D+01 -0.563442D+01
                51            52            53            54            55 
      1   0.631278D+01  0.357085D+02 -0.246155D+01  0.891768D+01 -0.322605D+02
      2  -0.117057D+02 -0.117473D+02 -0.484409D+00 -0.609808D+01  0.145798D+02
      3   0.539288D+01 -0.239612D+02  0.294596D+01 -0.281961D+01  0.176807D+02
      4   0.941557D+00 -0.267011D+01 -0.208364D+00  0.765762D+01 -0.481202D+01
      5   0.758138D+01  0.365275D+01  0.694956D+01 -0.470559D+01 -0.363773D+01
      6   0.366772D+01  0.114000D+02 -0.331271D+01  0.638719D+01  0.243299D+00
                56            57            58            59            60 
      1  -0.927251D+01 -0.482624D+01 -0.337623D+02 -0.227154D+02  0.217175D+01
      2   0.697379D+01  0.684331D-01  0.246215D+02  0.448090D+01  0.596473D+01
      3   0.229871D+01  0.475781D+01  0.914075D+01  0.182345D+02 -0.813648D+01
      4  -0.269834D+02  0.110288D+01 -0.450652D+02  0.170987D+02 -0.153019D+02
      5   0.877716D+00 -0.126844D+02  0.256332D+00 -0.148110D+02  0.147654D+02
      6   0.158682D+00  0.147494D+01 -0.455362D+00  0.401321D+01 -0.512835D+01
                61            62            63            64            65 
      1  -0.148267D+02  0.153962D+01 -0.891616D+00 -0.870486D+02  0.301048D+02
      2  -0.280249D+01  0.747452D+01  0.716946D+01  0.476654D+02 -0.137209D+02
      3   0.176292D+02 -0.901414D+01 -0.627784D+01  0.393832D+02 -0.163838D+02
      4   0.152970D-01 -0.197918D+02  0.260538D+02  0.286098D+02  0.237690D+02
      5  -0.235523D+02  0.228399D+02  0.379345D+02  0.255388D+02 -0.295618D+01
      6   0.116095D+02 -0.521669D+01 -0.115782D+02  0.108057D+01 -0.288933D+01
                66            67            68            69            70 
      1   0.251103D+02  0.635339D+02  0.221449D+02 -0.827189D+01  0.363390D+02
      2  -0.140257D+02 -0.295176D+02 -0.102117D+02  0.817676D+01 -0.145725D+02
      3  -0.110847D+02 -0.340163D+02 -0.119333D+02  0.951248D-01 -0.217665D+02
      4  -0.166200D+01  0.293861D+02  0.758598D+01  0.235364D+02  0.228995D+01
      5   0.655022D+01 -0.272871D+01  0.246981D+02 -0.203778D+02 -0.184763D+01
      6   0.128929D+01  0.253869D+01  0.668319D+01 -0.369506D+01 -0.302312D+01
                71            72            73            74            75 
      1  -0.423756D+01  0.467038D-01  0.358318D+02 -0.245067D+02 -0.210002D+02
      2   0.808829D+01  0.296859D-01 -0.187962D+02  0.607247D+01  0.109418D+02
      3  -0.385074D+01 -0.763897D-01 -0.170356D+02  0.184342D+02  0.100585D+02
      4   0.215297D+02 -0.156726D+02 -0.230688D+02 -0.319790D+02 -0.554558D+01
      5  -0.158119D+02 -0.324747D+02 -0.125953D+02 -0.767513D+01 -0.171153D+02
      6  -0.455500D+01 -0.490875D+01 -0.151074D+02 -0.886979D+01 -0.967595D-01
                76            77            78            79            80 
      1  -0.320959D+02 -0.285052D+02 -0.105380D+01 -0.240129D+02  0.144535D+01
      2   0.794434D+01  0.189096D+02 -0.114807D+02  0.116572D+02 -0.113539D+02
      3   0.241515D+02  0.959560D+01  0.125345D+02  0.123557D+02  0.990858D+01
      4  -0.420177D+02 -0.103306D+02 -0.381901D+02 -0.225093D+01 -0.278925D+02
      5  -0.886727D+01 -0.447270D+02  0.213368D+02 -0.105153D+02  0.183976D+02
      6  -0.151646D+02 -0.531183D+01 -0.105065D+02  0.186530D+01 -0.911387D+01
                81            82            83            84            85 
      1  -0.947778D+01  0.361718D+02 -0.228610D+02 -0.127112D+02 -0.308694D+02
      2  -0.746109D+00 -0.360679D+02  0.947008D+00  0.652449D+01  0.166589D+01
      3   0.102239D+02 -0.103916D+00  0.219140D+02  0.618667D+01  0.292035D+02
      4   0.162287D+02 -0.187645D+02 -0.382535D+02 -0.139254D+01 -0.394162D+02
      5   0.108392D+02 -0.158086D+02  0.527347D+01 -0.339168D+01  0.333470D+01
      6   0.121082D+02  0.386368D+00  0.398011D+01 -0.226387D+01  0.260227D+01
                86            87            88            89            90 
      1  -0.262384D+02  0.782841D+01 -0.143050D+02  0.191620D+01  0.248548D+01
      2   0.106902D+00 -0.634050D+01  0.151027D+01 -0.695735D+01  0.221073D+02
      3   0.261315D+02 -0.148791D+01  0.127947D+02  0.504115D+01 -0.245928D+02
      4  -0.321003D+02 -0.148420D+02 -0.107003D+02 -0.212592D+02  0.898288D+01
      5  -0.126851D+02  0.198028D+02 -0.271519D+01  0.118193D+02  0.508011D+02
      6  -0.673237D+01  0.103414D+02 -0.119151D+01  0.944264D+01  0.116573D+02
                91            92            93            94            95 
      1   0.718153D+01 -0.311883D+01 -0.119270D+01 -0.131029D+02 -0.144260D+02
      2  -0.779246D+01 -0.293469D+01 -0.950443D+00  0.781692D+01  0.574333D+01
      3   0.610932D+00  0.605352D+01  0.214315D+01  0.528596D+01  0.868267D+01
      4  -0.209197D+02 -0.130255D+02 -0.737267D+01 -0.366601D+02  0.172788D+02
      5  -0.722950D+01 -0.673673D+01 -0.783684D+01 -0.123519D+02 -0.362928D+00
      6  -0.483958D+01 -0.223844D+01 -0.466481D+01 -0.192833D+01 -0.471008D+01
                96            97            98            99           100 
      1  -0.635872D+01 -0.154365D+02 -0.905976D+01 -0.100371D+01 -0.335094D+01
      2   0.315561D+00  0.599479D+00 -0.186107D+01  0.754312D+01 -0.106554D+01
      3   0.604316D+01  0.148370D+02  0.109208D+02 -0.653941D+01  0.441648D+01
      4   0.282551D+00 -0.192984D+02 -0.103127D+02 -0.144318D+02  0.142570D+02
      5  -0.131051D+02 -0.138983D+02 -0.137407D+02  0.305861D+02 -0.153865D+02
      6  -0.224383D+01 -0.738820D+01 -0.245236D+01  0.887909D+01  0.531396D+01
               101           102           103           104           105 
      1   0.581903D+01 -0.667555D+01  0.200735D+02  0.270700D+01  0.106296D+02
      2   0.122328D+01  0.518023D+01 -0.157187D+02  0.481431D+01 -0.302760D+01
      3  -0.704231D+01  0.149532D+01 -0.435483D+01 -0.752131D+01 -0.760199D+01
      4  -0.503439D+01  0.738489D+01 -0.190535D+01 -0.172534D+02 -0.247552D+01
      5   0.673237D+01 -0.255585D+01  0.677031D+01 -0.165007D+01  0.271613D+02
      6  -0.588700D+01  0.600723D+01 -0.146303D+01 -0.242589D+01 -0.174539D+02
               106           107           108           109           110 
      1  -0.232724D+02  0.103018D+02 -0.472907D+01  0.425270D+02 -0.131464D+02
      2   0.642188D+01  0.789010D+01  0.325883D+01 -0.194294D+02  0.331845D+01
      3   0.168505D+02 -0.181919D+02  0.147024D+01 -0.230976D+02  0.982791D+01
      4   0.237071D+02 -0.277227D+02  0.209772D+02 -0.257316D+02  0.223518D+02
      5  -0.200769D+02  0.187351D+02 -0.207331D+02  0.305884D+02 -0.619377D+01
      6   0.118452D+02 -0.188351D+02  0.445855D+01 -0.116905D+02  0.428921D+01
               111           112           113           114           115 
      1   0.235074D+02 -0.155278D+02  0.276597D+01 -0.213079D+01  0.387704D+02
      2  -0.139782D+02  0.232116D+01  0.927458D+01 -0.836931D+00 -0.176527D+02
      3  -0.952914D+01  0.132066D+02 -0.120405D+02  0.296772D+01 -0.211177D+02
      4  -0.105123D+02  0.249576D+02 -0.235965D+02  0.168708D+02 -0.258059D+02
      5   0.216779D+02 -0.124447D+02  0.158661D+02 -0.209586D+02  0.348355D+02
      6  -0.757522D+01  0.621706D+01 -0.117267D+02  0.186059D+02 -0.119414D+02
               116           117           118           119           120 
      1  -0.349508D+01  0.988980D+01 -0.673342D+00 -0.109698D+02 -0.133065D+02
      2  -0.696774D+01 -0.139271D+02 -0.227017D+01  0.127809D+02  0.816766D+01
      3   0.104628D+02  0.403731D+01  0.294352D+01 -0.181108D+01  0.513887D+01
      4   0.366580D+02 -0.190884D+02  0.205046D+00 -0.518471D+01  0.354246D+01
      5  -0.172163D+02  0.559004D+02 -0.834976D+01 -0.126621D+01  0.591023D+01
      6   0.177364D+02 -0.274459D+02  0.401926D+01  0.568896D+01  0.145874D+01
               121           122           123           124           125 
      1  -0.457202D+01 -0.360436D+01 -0.573487D+01 -0.121534D+02 -0.884870D+01
      2   0.137148D+02 -0.200419D+02  0.116977D+01  0.745708D+01  0.617234D+01
      3  -0.914275D+01  0.236463D+02  0.456510D+01  0.469632D+01  0.267637D+01
      4  -0.104521D+02  0.461226D+02 -0.185340D+01  0.118237D+02 -0.133019D+02
      5   0.191212D+01 -0.130183D+01 -0.497064D+01  0.184729D+02 -0.179268D+02
      6   0.307450D+01  0.109931D+01  0.110764D+02 -0.671798D+01  0.216330D+02
               126           127           128           129           130 
      1  -0.104376D+02  0.168117D+00  0.722737D+00  0.307855D+01 -0.224020D+01
      2  -0.698639D+01 -0.537592D+01 -0.150108D+01  0.562309D+01 -0.513585D+00
      3   0.174240D+02  0.520781D+01  0.778348D+00 -0.870164D+01  0.275379D+01
      4  -0.158504D+02  0.164449D+01  0.278433D+01 -0.693137D+00  0.148726D+01
      5  -0.342828D+02 -0.922574D+01 -0.236071D+01  0.117116D+02 -0.231856D+01
      6   0.249361D+02  0.455427D+00 -0.170241D+01 -0.142998D+01 -0.126578D+01
               131           132           133           134           135 
      1  -0.310360D+01  0.718267D+01  0.302225D+01  0.355542D+01 -0.231033D+02
      2  -0.477804D+00  0.309829D+01  0.727786D+01  0.230132D+01 -0.158262D+02
      3   0.358141D+01 -0.102810D+02 -0.103001D+02 -0.585673D+01  0.389295D+02
      4   0.105614D+01 -0.156387D+01 -0.230789D+01 -0.383220D+01  0.228647D+01
      5  -0.264525D+01  0.351260D+01  0.128511D+02  0.398044D+01 -0.200905D+02
      6  -0.261034D+01  0.193837D+01  0.425195D+00  0.574203D+01 -0.787834D+00
               136           137           138           139           140 
      1   0.346988D+01  0.849264D-01 -0.215632D+01  0.400885D+00 -0.208291D+01
      2  -0.544034D+01  0.918257D+00 -0.409925D+01  0.207619D+01 -0.641790D-01
      3   0.197046D+01 -0.100318D+01  0.625557D+01 -0.247707D+01  0.214709D+01
      4  -0.230392D+01  0.382867D+01 -0.981540D+00  0.232782D+01 -0.297666D+01
      5   0.109467D+02 -0.296950D+01  0.966215D+01 -0.461002D+01  0.334964D+01
      6  -0.509717D+00  0.198915D+01 -0.866520D+00  0.715930D+00 -0.306428D+01
               141           142           143           144           145 
      1   0.507815D+01 -0.327070D+01  0.426006D+01 -0.126971D+02 -0.271335D+01
      2   0.240150D+01 -0.536775D+01  0.980459D+00 -0.841070D+01 -0.271158D+01
      3  -0.747964D+01  0.863845D+01 -0.524052D+01  0.211078D+02  0.542493D+01
      4   0.123048D+01 -0.157628D+01  0.311640D+01 -0.200637D+01  0.536913D+01
      5  -0.592860D+01  0.120267D+02 -0.409655D+01  0.150651D+02 -0.893545D+01
      6   0.229156D+01 -0.169759D+01  0.508051D+01 -0.340259D+01 -0.579467D+01
               146           147           148           149           150 
      1  -0.193721D+01  0.585250D+01 -0.248009D+01 -0.521583D+01  0.898421D+01
      2   0.524584D+00  0.288749D+01 -0.427442D+00  0.155201D+01  0.218435D+00
      3   0.141262D+01 -0.873999D+01  0.290753D+01  0.366383D+01 -0.920264D+01
      4   0.379684D+01 -0.552733D+01  0.224381D+01  0.198165D+01 -0.285077D+01
      5  -0.346704D+01  0.116351D+02 -0.310862D+01 -0.250992D+01  0.362714D+01
      6  -0.369411D+01  0.645793D+01 -0.288549D+01 -0.571300D+01  0.935470D+01
               151           152           153           154           155 
      1   0.726727D+01  0.113414D+02 -0.295760D+02  0.327618D+01  0.300893D+01
      2   0.187953D+01 -0.362577D+01 -0.536888D+01 -0.209714D+01 -0.370976D+01
      3  -0.914680D+01 -0.771562D+01  0.349449D+02 -0.117904D+01  0.700833D+00
      4  -0.626132D+01 -0.532291D+01  0.802191D+01 -0.107471D+02  0.871900D+01
      5   0.108698D+02  0.505905D+01 -0.166595D+02  0.156104D+02 -0.586637D+01
      6   0.858273D+01  0.135922D+02 -0.241872D+02 -0.843459D+01  0.652928D+01
               156           157           158           159           160 
      1  -0.152573D+01 -0.153767D+00 -0.442229D+01  0.506949D+01 -0.358339D+01
      2  -0.121747D+01  0.561459D+00  0.305440D+01 -0.502286D+00 -0.142745D+01
      3   0.274320D+01 -0.407692D+00  0.136789D+01 -0.456720D+01  0.501084D+01
      4  -0.817165D+01  0.604628D+01 -0.673571D+01  0.639282D+01 -0.885896D+01
      5   0.136946D+02 -0.803749D+01  0.560288D+01 -0.893600D+01  0.150103D+02
      6  -0.872350D+01  0.598543D+01 -0.709380D+01  0.925367D+01 -0.103181D+02
               161           162           163           164           165 
      1   0.844611D+01 -0.138369D+02  0.871767D+01 -0.233244D+01 -0.809980D+01
      2  -0.509032D+01 -0.123491D+01 -0.745408D+01  0.654006D+00  0.612127D+01
      3  -0.335579D+01  0.150718D+02 -0.126358D+01  0.167844D+01  0.197853D+01
      4   0.817692D+01 -0.105104D+02 -0.560985D+01  0.986667D+01  0.630851D+01
      5  -0.789187D+01  0.195304D+02 -0.147539D+02  0.469798D+01  0.158281D+02
      6   0.125085D+02 -0.182626D+02  0.422230D+01 -0.176298D+01 -0.293019D+01
               166           167           168           169           170 
      1   0.459275D+01  0.826585D+00 -0.290385D+01 -0.163935D+02 -0.470748D+01
      2  -0.344925D+01  0.829574D+00  0.117336D+01  0.142668D+02  0.906879D+00
      3  -0.114350D+01 -0.165616D+01  0.173049D+01  0.212668D+01  0.380060D+01
      4   0.112828D+02 -0.953112D+01 -0.823902D+01  0.128898D+02 -0.153016D+02
      5   0.422399D+01 -0.834858D+01 -0.900314D+01  0.282567D+02 -0.185246D+02
      6  -0.306031D+01  0.613059D+01  0.937784D+01 -0.957050D+01  0.123994D+02
               171           172           173           174           175 
      1  -0.497179D+01  0.200730D+02 -0.990038D+01  0.591830D+01 -0.119178D+02
      2  -0.119164D+02 -0.408759D+01 -0.445123D+00 -0.163586D+01 -0.349286D+01
      3   0.168882D+02 -0.159854D+02  0.103455D+02 -0.428245D+01  0.154106D+02
      4  -0.217859D+02 -0.221282D+02  0.255750D+02 -0.520082D+01  0.329466D+02
      5  -0.498679D+02  0.795071D+01 -0.324019D+01  0.758630D+01 -0.431060D+01
      6   0.195564D+02 -0.248178D+01  0.121198D+00 -0.178127D+01  0.163985D+01
               176           177           178           179           180 
      1   0.308828D+01 -0.381181D+00  0.184175D+02 -0.355127D+00  0.202705D+01
      2   0.185342D+02 -0.413291D+01 -0.476432D+01 -0.712865D+01  0.106323D+00
      3  -0.216225D+02  0.451409D+01 -0.136532D+02  0.748377D+01 -0.213337D+01
      4  -0.466618D+02  0.108741D+02 -0.151488D+02  0.232155D+02 -0.130339D+02
      5   0.970696D+01 -0.909673D+01  0.963385D+01 -0.114122D+02  0.685304D+01
      6  -0.344821D+01  0.556702D+01 -0.400451D+01  0.582953D+01 -0.370676D+01
               181           182           183           184           185 
      1   0.140197D+03 -0.177324D+02 -0.176695D+02 -0.277467D+02  0.133042D+02
      2  -0.714799D+02  0.929336D+01  0.878361D+01  0.136850D+02 -0.479596D+01
      3  -0.687172D+02  0.843903D+01  0.888587D+01  0.140617D+02 -0.850828D+01
      4  -0.140614D+02  0.148581D+02  0.185076D+01  0.173032D+02 -0.882409D+01
      5  -0.212523D+02  0.260130D+01  0.182903D+02  0.286854D+01 -0.634418D+01
      6   0.991053D+00 -0.138892D+01  0.136543D+01 -0.156750D+01  0.798275D-01
               186           187           188           189           190 
      1   0.318028D+01 -0.213969D+02  0.228064D+01  0.163083D+02  0.347387D+02
      2  -0.216838D+01  0.122962D+02 -0.212710D+01 -0.102693D+02 -0.156577D+02
      3  -0.101190D+01  0.910067D+01 -0.153541D+00 -0.603898D+01 -0.190810D+02
      4  -0.588328D+01  0.732006D+00 -0.580252D+01 -0.481370D+00  0.327614D+02
      5  -0.131706D+01  0.234570D+02 -0.785376D+00 -0.552357D+01  0.274730D+02
      6   0.246813D+01 -0.159216D+00  0.271059D+01  0.856858D+00  0.120609D+02
               191           192           193           194           195 
      1   0.202829D+02  0.137351D+02  0.270785D+02  0.156513D+02  0.671327D+01
      2  -0.541100D+01 -0.982441D+01 -0.827036D+01  0.157060D+01 -0.407884D+01
      3  -0.148719D+02 -0.391072D+01 -0.188081D+02 -0.172219D+02 -0.263443D+01
      4   0.313572D+02  0.133873D+02  0.391689D+02  0.456083D+02  0.230390D+02
      5   0.164172D+02  0.225403D+02  0.250603D+02  0.266902D+02  0.224834D+02
      6   0.114176D+02  0.802101D+01  0.147824D+02  0.193525D+02  0.146036D+02
               196           197           198           199           200 
      1   0.828665D+01  0.218315D+01  0.652799D+01  0.112676D+02 -0.613438D+01
      2  -0.674965D+01 -0.198368D+01 -0.604651D+01 -0.889724D+01  0.546958D+01
      3  -0.153700D+01 -0.199463D+00 -0.481485D+00 -0.237034D+01  0.664806D+00
      4   0.982088D+01  0.123007D+02  0.112392D+02 -0.700585D+01  0.131949D+02
      5   0.182925D+02  0.119119D+02  0.147756D+02  0.165977D+02 -0.787616D+01
      6   0.701715D+01  0.100797D+02  0.737765D+01 -0.137421D+01  0.437586D+01
               201           202           203           204           205 
      1   0.118293D+02 -0.134532D+02  0.673293D+01 -0.436240D+01  0.113255D+02
      2  -0.104410D+02  0.115209D+02 -0.820433D+01  0.144474D+02 -0.114470D+02
      3  -0.138838D+01  0.193228D+01  0.147140D+01 -0.100850D+02  0.121421D+00
      4  -0.586897D+01  0.140838D+02 -0.283605D+02  0.219073D+02 -0.571992D+01
      5   0.177283D+02 -0.170135D+02  0.245816D+02 -0.333876D+02  0.190768D+02
      6  -0.184645D+01  0.523298D+01 -0.126080D+02  0.959346D+01 -0.240671D+01
               206           207           208           209           210 
      1  -0.169337D+01  0.225445D+01 -0.453942D+02  0.994121D+01  0.140385D+02
      2   0.946880D+01 -0.172917D+02  0.223170D+02 -0.584164D+01 -0.168810D+01
      3  -0.777543D+01  0.150372D+02  0.230772D+02 -0.409956D+01 -0.123504D+02
      4   0.169433D+02 -0.167821D+02 -0.393782D+01 -0.365734D+01 -0.143485D+01
      5  -0.184142D+02  0.339427D+02 -0.100742D+02 -0.152744D+01 -0.891673D+01
      6   0.100914D+02 -0.751907D+01  0.565883D+01 -0.559693D+01 -0.686013D+01
               211           212           213           214           215 
      1   0.947321D+01 -0.662118D+01 -0.558815D+01  0.112105D+02 -0.316993D+01
      2  -0.432887D+01  0.412956D+01  0.342568D+01 -0.295036D+01  0.162624D+01
      3  -0.514434D+01  0.249162D+01  0.216247D+01 -0.826012D+01  0.154369D+01
      4   0.285417D+01  0.325698D+01  0.564578D+01  0.678681D+00  0.406733D+01
      5   0.807078D+00  0.509153D+01  0.712010D+00  0.283069D+01 -0.105357D+01
      6  -0.165249D+01  0.396271D+01  0.523457D+01 -0.314516D+01  0.434987D+01
               216           217           218           219           220 
      1  -0.901613D+01 -0.419798D+02  0.146770D+02  0.160191D+01  0.106504D+02
      2   0.210851D+00  0.280581D+02 -0.149933D+02 -0.208607D+01 -0.822521D+01
      3   0.880528D+01  0.139217D+02  0.316259D+00  0.484169D+00 -0.242524D+01
      4  -0.108058D+01 -0.127234D+02 -0.506641D+01  0.350337D+01  0.397931D+01
      5   0.420250D+01  0.118378D+02  0.611509D+00 -0.696079D+01 -0.202192D+01
      6   0.229966D+01  0.623191D+00  0.348700D+01 -0.537350D+01  0.107083D+01
               221           222           223           224           225 
      1  -0.976632D+01  0.440813D-01  0.658234D+01 -0.310705D+01 -0.547208D+01
      2   0.121152D+02  0.558102D+00 -0.379707D+01  0.427375D+01  0.898170D-01
      3  -0.234889D+01 -0.602184D+00 -0.278527D+01 -0.116670D+01  0.538227D+01
      4   0.541881D+01  0.323411D+00  0.174702D+01  0.411623D+01 -0.104125D+01
      5   0.204038D+01  0.160783D+00 -0.126225D+01  0.140544D+00 -0.337231D+01
      6  -0.144066D+01  0.126671D+01 -0.227150D+01  0.140031D+01 -0.649151D+00
               226           227           228           229           230 
      1   0.945074D+00  0.259946D+01 -0.777774D+01 -0.127223D+01  0.204279D+00
      2  -0.214220D+01  0.141307D+00  0.615362D+01  0.268334D+01 -0.866406D+00
      3   0.119712D+01 -0.274076D+01  0.162411D+01 -0.141111D+01  0.662127D+00
      4   0.308874D+01  0.639708D+01 -0.228231D+01  0.412880D+01  0.156207D+00
      5  -0.947107D+01 -0.106765D+01  0.127725D+02  0.158324D+01 -0.466913D+01
      6  -0.223020D+01 -0.115624D+01  0.150942D+01 -0.631828D+00  0.207892D+00
               231           232           233           234           235 
      1   0.819786D-01 -0.977202D+01  0.230667D+01 -0.129722D+02  0.270974D+02
      2  -0.460790D+01  0.899189D+01 -0.421314D+01 -0.242724D+02 -0.864191D+00
      3   0.452592D+01  0.780124D+00  0.190647D+01  0.372446D+02 -0.262333D+02
      4  -0.388154D+01 -0.602500D+01 -0.101030D+02  0.473949D+01  0.398505D+02
      5  -0.102855D+02  0.174747D+02  0.430309D+01 -0.676411D+02 -0.387124D+01
      6   0.323652D+01  0.452518D+01  0.843752D+01 -0.243701D+02 -0.302841D+01
               236           237           238           239           240 
      1   0.193615D+02  0.187354D+01  0.195383D+02  0.102901D+02 -0.181030D+00
      2   0.589543D+01  0.301487D+00  0.692445D+01  0.260726D+02  0.116115D+01
      3  -0.252569D+02 -0.217502D+01 -0.264627D+02 -0.363627D+02 -0.980123D+00
      4   0.440353D+02 -0.123318D+01  0.460705D+02  0.657851D+02 -0.123902D+01
      5  -0.511949D+01  0.100962D+02 -0.563811D+01 -0.458318D+01  0.775479D+01
      6  -0.468196D+01  0.562945D+01 -0.468251D+01 -0.790201D+01  0.667807D+01
               241           242           243           244           245 
      1   0.731131D+01  0.204533D+01  0.315343D+01  0.991642D+00  0.336524D+01
      2   0.970134D-01  0.505746D+01 -0.146685D+01 -0.415833D+01 -0.154997D+01
      3  -0.740833D+01 -0.710279D+01 -0.168659D+01  0.316669D+01 -0.181527D+01
      4   0.885734D+01  0.139583D+02  0.670605D+01  0.607855D+01  0.540237D+01
      5   0.692923D+01  0.533675D+01 -0.125074D+01 -0.111211D+02 -0.130293D+01
      6   0.397409D+01  0.441199D+01  0.505269D+00 -0.347838D+01 -0.400878D+00
               246           247           248           249           250 
      1  -0.629645D+01  0.405958D+01 -0.998762D-02  0.215901D+01 -0.899708D+01
      2   0.493995D+01 -0.180851D+01  0.361433D+00 -0.395111D+00  0.892038D+01
      3   0.135650D+01 -0.225107D+01 -0.351445D+00 -0.176390D+01  0.767007D-01
      4  -0.224169D+01  0.927842D+01  0.430387D+01 -0.696421D+01 -0.475598D+01
      5   0.119488D+02 -0.194400D+01 -0.701534D+01  0.876721D+01  0.168372D+02
      6   0.213609D+01 -0.159322D+01 -0.386046D+01  0.705433D+01  0.306301D+01
               251           252           253           254           255 
      1   0.241322D+01 -0.609816D+01 -0.824357D+02 -0.959959D+01  0.909428D+01
      2   0.540027D+00 -0.131087D+02  0.422809D+02  0.134612D+02 -0.573703D+01
      3  -0.295325D+01  0.192069D+02  0.401548D+02 -0.386160D+01 -0.335726D+01
      4  -0.113332D+02  0.930706D+01 -0.161876D+02  0.243347D+02  0.836283D+01
      5   0.797355D+01 -0.399436D+02  0.116779D+02  0.509321D+01  0.996867D+01
      6   0.654173D+01 -0.116886D+02  0.912682D+01  0.375324D+01  0.377557D+01
               256           257           258           259           260 
      1   0.137889D+02  0.345118D+02  0.419794D-01  0.268920D+02  0.610002D+00
      2  -0.587449D+00 -0.361449D+02 -0.432212D+00 -0.996032D+01  0.366342D+01
      3  -0.132014D+02  0.163305D+01  0.390232D+00 -0.169317D+02 -0.427342D+01
      4   0.328374D+02 -0.186108D+02  0.975367D+01  0.187496D+02  0.167088D+02
      5   0.102714D+02  0.128642D+02  0.123080D+02  0.147593D+02  0.104420D+02
      6   0.660377D+01  0.368518D+01  0.651762D+01  0.757817D+01  0.688403D+01
               261           262           263           264           265 
      1   0.121708D+02  0.369122D+01 -0.633751D+01 -0.155041D+01 -0.378474D+01
      2   0.614647D+01  0.357744D+01 -0.345917D+01 -0.318569D+00 -0.826268D+01
      3  -0.183173D+02 -0.726866D+01  0.979668D+01  0.186898D+01  0.120474D+02
      4   0.135639D+02 -0.131016D+02  0.200159D+02  0.445217D+01  0.251969D+02
      5  -0.275146D+02 -0.494703D+01  0.566521D+01  0.400366D+01  0.684562D+01
      6  -0.843246D+01  0.354898D+01 -0.413392D+01 -0.165977D+01 -0.565681D+01
               266           267           268           269           270 
      1  -0.155227D+02 -0.452638D+01  0.332309D+00  0.536520D+00 -0.200668D+01
      2   0.437881D+02  0.650939D+01  0.253712D+01 -0.804666D+01  0.158801D+01
      3  -0.282654D+02 -0.198301D+01 -0.286943D+01  0.751014D+01  0.418670D+00
      4  -0.650629D+02 -0.135561D+02 -0.393033D+01  0.100431D+02 -0.309711D+01
      5  -0.158346D+02 -0.124245D+02  0.177307D+01 -0.294357D+01 -0.317573D+01
      6   0.193505D+02  0.100082D+02 -0.110637D+01  0.409359D+01  0.226119D+01
               271           272           273           274           275 
      1   0.127792D+03  0.120678D+02 -0.465590D+01 -0.517382D+01  0.605217D+01
      2  -0.600064D+02 -0.155333D+01  0.176645D+01  0.526601D+01  0.159781D+00
      3  -0.677852D+02 -0.105145D+02  0.288945D+01 -0.921868D-01 -0.621195D+01
      4   0.463438D+02  0.204884D+02 -0.113562D+00  0.116476D+02  0.572391D+01
      5   0.345196D+01  0.124437D+01  0.137976D+02 -0.720926D+00 -0.164344D+01
      6  -0.119662D+01  0.129691D+01  0.421171D+01  0.558830D-01 -0.497994D-01
               276           277           278           279           280 
      1   0.234733D+00 -0.180708D+02 -0.164559D+01  0.903706D+01  0.103107D+01
      2  -0.259892D+00  0.790839D+01 -0.621535D+00 -0.659383D+01  0.210309D+01
      3   0.251590D-01  0.101624D+02  0.226712D+01 -0.244323D+01 -0.313416D+01
      4  -0.180616D+01 -0.821195D+01 -0.564759D+01  0.241402D+01  0.294091D+01
      5  -0.138106D+01  0.132377D+02  0.601733D+00 -0.816020D+00 -0.221928D+01
      6   0.153507D+00  0.349680D+01  0.897858D+00 -0.276073D+00 -0.995614D+00
               281           282           283           284           285 
      1   0.129569D+02 -0.118783D+01  0.115574D+02 -0.311277D+02 -0.550228D+00
      2  -0.141712D+02  0.918313D+00 -0.434454D+01  0.526965D+02 -0.446468D+00
      3   0.121432D+01  0.269513D+00 -0.721290D+01 -0.215688D+02  0.996696D+00
      4  -0.808391D+01 -0.193903D+01  0.110021D+02  0.527057D+02  0.167433D+00
      5  -0.264290D+00 -0.266826D+01  0.154307D+01 -0.225230D+01  0.644298D+01
      6  -0.137799D+01 -0.233868D+01 -0.198949D-01  0.476715D+01  0.714805D+01
               286           287           288           289           290 
      1  -0.530527D+01  0.160607D+01 -0.514681D+01  0.663738D+01  0.103891D+01
      2   0.160190D+01 -0.491836D+01  0.396437D+01 -0.602848D+01 -0.169974D+01
      3   0.370337D+01  0.331229D+01  0.118244D+01 -0.608899D+00  0.660825D+00
      4  -0.433675D+01 -0.865797D+01  0.341126D+01  0.125520D-01 -0.277576D+01
      5   0.651389D+00  0.442445D+01  0.655162D+00  0.313447D+01 -0.127510D+01
      6  -0.244290D+00  0.645712D+01 -0.366546D+00 -0.121320D+00 -0.138154D+01
               291           292           293           294           295 
      1   0.508756D+01 -0.593483D+01 -0.569526D+01 -0.520968D+00  0.122340D+02
      2  -0.212108D+01  0.264373D+01  0.354934D+01  0.302150D+01 -0.753984D+01
      3  -0.296648D+01  0.329110D+01  0.214592D+01 -0.250054D+01 -0.469420D+01
      4  -0.891758D-01 -0.319860D+01 -0.210046D+01  0.195390D+01  0.704557D+01
      5   0.775481D+00 -0.266750D+01  0.177368D+01 -0.571270D+01  0.111700D+02
      6  -0.860782D+00 -0.759543D+00  0.641329D-01  0.133703D+01  0.238843D+01
               296           297 
      1  -0.101015D+01 -0.110410D+02
      2   0.352701D+01 -0.136020D+02
      3  -0.251685D+01  0.246430D+02
      4   0.108448D+02  0.946201D+00
      5   0.182109D+01  0.444486D+02
      6   0.496692D+01  0.171033D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.471325D+00      0.119799D+01      0.399606D+01
   y         -0.177071D+00     -0.450069D+00     -0.150127D+01
   z          0.473124D+00      0.120256D+01      0.401131D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.199037D+03      0.294943D+02      0.328168D+02
   yx        -0.554041D+00     -0.821005D-01     -0.913491D-01
   yy         0.130507D+03      0.193392D+02      0.215177D+02
   zx         0.166351D+01      0.246507D+00      0.274276D+00
   zy        -0.744604D+01     -0.110339D+01     -0.122769D+01
   zz         0.145234D+03      0.215214D+02      0.239458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.173106D+03      0.256516D+02      0.285413D+02
   aniso      0.697011D+02      0.103286D+02      0.114922D+02
   xx         0.217887D+03      0.322875D+02      0.359247D+02
   yx        -0.951777D+00     -0.141039D+00     -0.156927D+00
   yy         0.143262D+03      0.212293D+02      0.236207D+02
   zx         0.177291D+01      0.262718D+00      0.292313D+00
   zy        -0.746925D+01     -0.110683D+01     -0.123151D+01
   zz         0.158168D+03      0.234381D+02      0.260784D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.57539356         -1.13510741         -0.52031291
     6          2.34280323         -1.35288217          2.09805333
     6          0.46762951         -1.09563667         -2.07820159
     6         -1.95548370         -1.27828699         -1.06060019
     6         -2.20255524         -1.50369757          1.54702002
     6         -0.08618841         -1.55023781          3.09842196
     6          4.63374799         -1.32775249          3.78610954
     6          5.47042762          1.32136745          4.70012994
     6          3.46172337          2.60223762          6.33203510
     6          6.26842276          3.03366791          2.51617427
     6         -4.27369158         -1.28965107         -2.75652900
     6         -4.29924668          1.12351271         -4.30287860
     8         -3.45515123          1.36749758         -6.40114854
     8         -5.35424189          3.06278025         -3.01473519
     1          4.43962886         -0.99837495         -1.35378487
     1          0.70611260         -0.90927761         -4.10169322
     1         -4.06913867         -1.65264702          2.37467544
     1         -0.32824966         -1.74485431          5.12138427
     1          6.22018682         -2.19654782          2.78875823
     1          4.26378091         -2.49616621          5.44873262
     1          7.13508521          0.99955440          5.88816628
     1          4.16801212          4.38863957          7.08468419
     1          2.91589097          1.41412909          7.92940852
     1          1.76213425          3.01039287          5.23640812
     1          4.67174946          3.45745334          1.28068281
     1          7.74237172          2.15642394          1.36787527
     1          7.00374661          4.82470624          3.22892772
     1         -5.93714869         -1.24710584         -1.54015755
     6         -4.37270206         -3.61550697         -4.47052394
     1         -5.21318096          4.55038174         -4.07712860
     1         -6.09134851         -3.62048436         -5.60879636
     1         -4.33272892         -5.32525177         -3.32273727
     1         -2.76346359         -3.64533376         -5.75173339

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.690903D+00      0.175610D+01      0.585772D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.690903D+00      0.175610D+01      0.585772D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.158259D+03      0.234516D+02      0.260934D+02
   aniso      0.638714D+02      0.946477D+01      0.105310D+02
   xx         0.172588D+03      0.255750D+02      0.284560D+02
   yx         0.705549D+01      0.104552D+01      0.116329D+01
   yy         0.128523D+03      0.190451D+02      0.211905D+02
   zx         0.252401D+02      0.374019D+01      0.416153D+01
   zy         0.308542D+01      0.457212D+00      0.508717D+00
   zz         0.173667D+03      0.257348D+02      0.286338D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.173106D+03      0.256516D+02      0.285413D+02
   aniso      0.697011D+02      0.103286D+02      0.114922D+02
   xx         0.188455D+03      0.279262D+02      0.310721D+02
   yx         0.722814D+01      0.107110D+01      0.119176D+01
   yy         0.141270D+03      0.209341D+02      0.232923D+02
   zx         0.282090D+02      0.418014D+01      0.465103D+01
   zy         0.331139D+01      0.490697D+00      0.545974D+00
   zz         0.189592D+03      0.280946D+02      0.312595D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F15-15\Freq\RLC-PBEPBE\Gen\C13H18O2\PIERPA\27-Sep-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02300000
 00,3/108=0230000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
 1)\\ROA calculations.\\0,1\C,0.736226,-0.365262,-1.272205\C,1.580407,-
 0.843892,-0.268944\C,-0.631287,-0.249652,-1.070495\C,-1.202033,-0.6136
 12,0.148225\C,-0.367697,-1.095463,1.151784\C,1.000381,-1.213316,0.9436
 59\C,3.068617,-0.934244,-0.480851\C,3.864505,0.334941,-0.092392\C,3.75
 4611,0.654693,1.397822\C,3.47577,1.54574,-0.939652\C,-2.702771,-0.5166
 89,0.368988\C,-3.138269,0.918833,0.145133\O,-3.559047,1.373836,-0.8868
 55\O,-2.970828,1.672405,1.255783\H,1.156867,-0.080316,-2.228675\H,-1.2
 60188,0.132647,-1.864576\H,-0.792008,-1.385962,2.105337\H,1.627267,-1.
 599939,1.73772\H,3.268482,-1.153685,-1.532795\H,3.462957,-1.774242,0.0
 96737\H,4.913285,0.101574,-0.306459\H,4.394928,1.499871,1.657871\H,4.0
 56957,-0.196129,2.012581\H,2.730553,0.917518,1.669696\H,2.441497,1.841
 134,-0.753494\H,3.577595,1.336297,-2.006833\H,4.11306,2.400281,-0.7039
 13\H,-2.898442,-0.751368,1.416045\C,-3.487164,-1.472476,-0.531817\H,-3
 .218631,2.58075,1.021627\H,-4.556603,-1.415011,-0.324547\H,-3.151396,-
 2.495431,-0.362197\H,-3.334967,-1.225513,-1.581072\\Version=ES64L-G16R
 evA.03\State=1-A\HF=-657.0236108\RMSD=8.023e-09\RMSF=4.878e-06\ZeroPoi
 nt=0.2845324\Thermal=0.30006\Dipole=0.4713246,-0.1770708,0.4731237\Dip
 oleDeriv=-0.1097271,-0.0072732,-0.045153,0.0128122,-0.0876413,-0.06847
 67,-0.081669,-0.052636,0.0669567,0.300574,0.0457458,-0.0250921,0.01427
 92,-0.1099179,-0.0158886,-0.0516413,-0.0178627,-0.0695112,-0.0958801,-
 0.0094495,0.0353222,-0.0231971,-0.0907845,-0.0448834,0.0636361,-0.0419
 955,-0.0116313,0.30639,-0.1142535,-0.0002911,0.0056883,-0.1365923,-0.0
 042315,-0.0563353,0.0131355,-0.0701009,-0.0763589,0.0161221,-0.0497302
 ,0.0140686,-0.0884602,-0.0543373,-0.0157715,-0.0781842,0.0700842,-0.11
 22934,-0.0407126,0.0604081,-0.051114,-0.0871036,-0.0458315,0.112274,-0
 .0556728,0.0208665,0.0722258,-0.0228841,-0.0025379,-0.1760324,0.091167
 5,0.0087299,-0.0625861,-0.0056253,0.1154767,0.1448439,0.0119685,0.0068
 586,0.1650331,0.1555628,-0.017245,0.0649055,-0.0032418,0.1552731,0.072
 2616,-0.0068048,0.0057634,-0.0558875,0.0534332,-0.0336546,0.0141769,-0
 .0310415,-0.0259685,0.0608302,0.0133691,-0.0153118,-0.0164568,-0.01385
 89,0.045453,-0.0549389,0.0363389,0.0516173,-0.0283393,0.1708088,-0.026
 1177,0.1043739,-0.0304155,0.0211543,-0.115308,0.0374748,0.1139057,0.48
 47693,-0.2551588,0.3193527,-0.6472379,1.2340887,0.2694344,0.3849344,0.
 2710076,1.4203772,-0.5381839,0.1170866,-0.2443291,0.3565722,-0.7081137
 ,0.2021172,-0.3092696,0.0082244,-0.8810008,-0.3735621,0.0046834,-0.031
 7928,0.1167591,-0.7315054,-0.5441341,0.0220414,-0.4189205,-0.8886392,0
 .023809,-0.0010105,0.0769799,-0.0034814,0.0950329,0.0510299,0.0843213,
 0.0517097,-0.0428971,0.03496,0.0211475,-0.0608079,0.0399514,0.0988607,
 0.0420677,-0.0669668,0.0411858,0.0235573,0.020713,-0.0235677,0.0786341
 ,-0.0085561,0.0956687,0.0469862,0.0753539,0.0540365,-0.0435183,-0.0133
 549,0.0597271,-0.075004,0.0558413,0.095401,0.0495532,-0.0745425,0.0479
 958,-0.0068691,-0.0333419,-0.0092558,-0.0038576,0.0012586,0.0423995,-0
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 .00000111,-0.00000134,0.00000096,0.00000502,-0.00000064,-0.00000348,-0
 .00000263,0.00000637,0.00000601,0.00000117,-0.00000508,0.00000135,0.00
 000304,0.00000087,-0.00000089,0.00000160,-0.00000094,-0.00000348,0.000
 00133,-0.00000155,-0.00000242\\\@


 SLITHERY-DITHERY
 FRIEDRICH A. KEKULE
 DREAMT ON A BUS OF THINGS
 FREUD WOULD THINK KEEN.
 MOST OF THE TIME THEY WERE
 HERPETOLOGICAL
 BITING THEIR TAILS IN THE
 SHAPE OF BENZENE.
 Job cpu time:       1 days  5 hours 37 minutes  7.8 seconds.
 Elapsed time:       0 days  3 hours 42 minutes 23.9 seconds.
 File lengths (MBytes):  RWF=    705 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 22:27:33 2021.
